N-cyclopentyl-4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxybenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropylbenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxy-N-[(3R)-oxolan-3-yl]benzamide;[4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone

C103H125FN32O8 — CID 160633398

IUPACN-cyclopentyl-4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxybenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropylbenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxy-N-[(3R)-oxolan-3-yl]benzamide;[4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone
SMILESCC[C@@H]1c2nncn2-c2cnc(Nc3ccc(C(=O)N4CC[C@H](F)C4)cc3OC)nc2N1C1CCCC1.CC[C@@H]1c2nncn2-c2cnc(Nc3ccc(C(=O)NC4CC4)cc3)nc2N1C1CCCC1.CC[C@@H]1c2nncn2-c2cnc(Nc3ccc(C(=O)NC4CCCC4)cc3OC)nc2N1C1CCCC1.CC[C@@H]1c2nncn2-c2cnc(Nc3ccc(C(=O)N[C@@H]4CCOC4)cc3OC)nc2N1C1CCCC1
InChIInChI=1S/C27H34N8O2.C26H31FN8O2.C26H32N8O3.C24H28N8O/c1-3-21-25-33-29-16-34(25)22-15-28-27(32-24(22)35(21)19-10-6-7-11-19)31-20-13-12-17(14-23(20)37-2)26(36)30-18-8-4-5-9-18;1-3-20-24-32-29-15-34(24)21-13-28-26(31-23(21)35(20)18-6-4-5-7-18)30-19-9-8-16(12-22(19)37-2)25(36)33-11-10-17(27)14-33;1-3-20-24-32-28-15-33(24)21-13-27-26(31-23(21)34(20)18-6-4-5-7-18)30-19-9-8-16(12-22(19)36-2)25(35)29-17-10-11-37-14-17;1-2-19-22-30-26-14-31(22)20-13-25-24(29-21(20)32(19)18-5-3-4-6-18)28-17-9-7-15(8-10-17)23(33)27-16-11-12-16/h12-16,18-19,21H,3-11H2,1-2H3,(H,30,36)(H,28,31,32);8-9,12-13,15,17-18,20H,3-7,10-11,14H2,1-2H3,(H,28,30,31);8-9,12-13,15,17-18,20H,3-7,10-11,14H2,1-2H3,(H,29,35)(H,27,30,31);7-10,13-14,16,18-19H,2-6,11-12H2,1H3,(H,27,33)(H,25,28,29)/t21-;17-,20+;17-,20-;19-/m1011/s1
InChIKeyRIFGFHXZQSCPCB-QDBNJBOQSA-N
MW1958.35 g/mol
LogP16.35
Rot. Bonds26

About N-cyclopentyl-4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxybenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropylbenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxy-N-[(3R)-oxolan-3-yl]benzamide;[4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone

N-cyclopentyl-4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxybenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropylbenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxy-N-[(3R)-oxolan-3-yl]benzamide;[4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone (PubChem CID 160633398) has the molecular formula C103H125FN32O8 and a molecular weight of 1958.35 g/mol. Its IUPAC name is N-cyclopentyl-4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxybenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropylbenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxy-N-[(3R)-oxolan-3-yl]benzamide;[4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone.

Molecular Properties

Compound NameN-cyclopentyl-4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxybenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropylbenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxy-N-[(3R)-oxolan-3-yl]benzamide;[4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone
PubChem CID160633398
Molecular FormulaC103H125FN32O8
Molecular Weight1958.35 g/mol
Exact Mass1957.03
IUPAC NameN-cyclopentyl-4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxybenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropylbenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxy-N-[(3R)-oxolan-3-yl]benzamide;[4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone
SMILESCC[C@@H]1c2nncn2-c2cnc(Nc3ccc(C(=O)N4CC[C@H](F)C4)cc3OC)nc2N1C1CCCC1.CC[C@@H]1c2nncn2-c2cnc(Nc3ccc(C(=O)NC4CC4)cc3)nc2N1C1CCCC1.CC[C@@H]1c2nncn2-c2cnc(Nc3ccc(C(=O)NC4CCCC4)cc3OC)nc2N1C1CCCC1.CC[C@@H]1c2nncn2-c2cnc(Nc3ccc(C(=O)N[C@@H]4CCOC4)cc3OC)nc2N1C1CCCC1
InChIInChI=1S/C27H34N8O2.C26H31FN8O2.C26H32N8O3.C24H28N8O/c1-3-21-25-33-29-16-34(25)22-15-28-27(32-24(22)35(21)19-10-6-7-11-19)31-20-13-12-17(14-23(20)37-2)26(36)30-18-8-4-5-9-18;1-3-20-24-32-29-15-34(24)21-13-28-26(31-23(21)35(20)18-6-4-5-7-18)30-19-9-8-16(12-22(19)37-2)25(36)33-11-10-17(27)14-33;1-3-20-24-32-28-15-33(24)21-13-27-26(31-23(21)34(20)18-6-4-5-7-18)30-19-9-8-16(12-22(19)36-2)25(35)29-17-10-11-37-14-17;1-2-19-22-30-26-14-31(22)20-13-25-24(29-21(20)32(19)18-5-3-4-6-18)28-17-9-7-15(8-10-17)23(33)27-16-11-12-16/h12-16,18-19,21H,3-11H2,1-2H3,(H,30,36)(H,28,31,32);8-9,12-13,15,17-18,20H,3-7,10-11,14H2,1-2H3,(H,28,30,31);8-9,12-13,15,17-18,20H,3-7,10-11,14H2,1-2H3,(H,29,35)(H,27,30,31);7-10,13-14,16,18-19H,2-6,11-12H2,1H3,(H,27,33)(H,25,28,29)/t21-;17-,20+;17-,20-;19-/m1011/s1
InChIKeyRIFGFHXZQSCPCB-QDBNJBOQSA-N
XLogP16.35
TPSA431.57 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds26
Heavy Atoms144
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001958.35
LogP ≤ 516.35
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

Analyze N-cyclopentyl-4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxybenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropylbenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxy-N-[(3R)-oxolan-3-yl]benzamide;[4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxybenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropylbenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxy-N-[(3R)-oxolan-3-yl]benzamide;[4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone?
The IUPAC name of N-cyclopentyl-4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxybenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropylbenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxy-N-[(3R)-oxolan-3-yl]benzamide;[4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone (CID 160633398) is N-cyclopentyl-4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxybenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropylbenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxy-N-[(3R)-oxolan-3-yl]benzamide;[4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone.
What is the SMILES notation for N-cyclopentyl-4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxybenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropylbenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxy-N-[(3R)-oxolan-3-yl]benzamide;[4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone?
The canonical SMILES for N-cyclopentyl-4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxybenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropylbenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxy-N-[(3R)-oxolan-3-yl]benzamide;[4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone is CC[C@@H]1c2nncn2-c2cnc(Nc3ccc(C(=O)N4CC[C@H](F)C4)cc3OC)nc2N1C1CCCC1.CC[C@@H]1c2nncn2-c2cnc(Nc3ccc(C(=O)NC4CC4)cc3)nc2N1C1CCCC1.CC[C@@H]1c2nncn2-c2cnc(Nc3ccc(C(=O)NC4CCCC4)cc3OC)nc2N1C1CCCC1.CC[C@@H]1c2nncn2-c2cnc(Nc3ccc(C(=O)N[C@@H]4CCOC4)cc3OC)nc2N1C1CCCC1.
What is the InChIKey of N-cyclopentyl-4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxybenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropylbenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxy-N-[(3R)-oxolan-3-yl]benzamide;[4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone?
The InChIKey is RIFGFHXZQSCPCB-QDBNJBOQSA-N. The full InChI is InChI=1S/C27H34N8O2.C26H31FN8O2.C26H32N8O3.C24H28N8O/c1-3-21-25-33-29-16-34(25)22-15-28-27(32-24(22)35(21)19-10-6-7-11-19)31-20-13-12-17(14-23(20)37-2)26(36)30-18-8-4-5-9-18;1-3-20-24-32-29-15-34(24)21-13-28-26(31-23(21)35(20)18-6-4-5-7-18)30-19-9-8-16(12-22(19)37-2)25(36)33-11-10-17(27)14-33;1-3-20-24-32-28-15-33(24)21-13-27-26(31-23(21)34(20)18-6-4-5-7-18)30-19-9-8-16(12-22(19)36-2)25(35)29-17-10-11-37-14-17;1-2-19-22-30-26-14-31(22)20-13-25-24(29-21(20)32(19)18-5-3-4-6-18)28-17-9-7-15(8-10-17)23(33)27-16-11-12-16/h12-16,18-19,21H,3-11H2,1-2H3,(H,30,36)(H,28,31,32);8-9,12-13,15,17-18,20H,3-7,10-11,14H2,1-2H3,(H,28,30,31);8-9,12-13,15,17-18,20H,3-7,10-11,14H2,1-2H3,(H,29,35)(H,27,30,31);7-10,13-14,16,18-19H,2-6,11-12H2,1H3,(H,27,33)(H,25,28,29)/t21-;17-,20+;17-,20-;19-/m1011/s1.
What are the key properties of N-cyclopentyl-4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxybenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropylbenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxy-N-[(3R)-oxolan-3-yl]benzamide;[4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone?
N-cyclopentyl-4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxybenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropylbenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxy-N-[(3R)-oxolan-3-yl]benzamide;[4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone has a molecular weight of 1958.35 g/mol, XLogP of 16.35, 26 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxybenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropylbenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxy-N-[(3R)-oxolan-3-yl]benzamide;[4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone is sourced from PubChem (CID 160633398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).