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-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropyl-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-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone

C103H125FN32O7 — CID 157233880

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-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropyl-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-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone
SMILESCC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CC4)cc3OC)nc2N1C1CCCC1.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
InChIInChI=1S/C27H34N8O2.C26H31FN8O2.C26H32N8O2.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;1-4-20-24-32-31-15(2)33(24)21-14-27-26(30-23(21)34(20)18-7-5-6-8-18)29-19-12-9-16(13-22(19)36-3)25(35)28-17-10-11-17;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);9,12-14,17-18,20H,4-8,10-11H2,1-3H3,(H,28,35)(H,27,29,30);7-10,13-14,16,18-19H,2-6,11-12H2,1H3,(H,27,33)(H,25,28,29)/t21-;17-,20+;20-;19-/m1011/s1
InChIKeyAUKIYKNVPZWQCX-JFYZYCEGSA-N
MW1942.35 g/mol
LogP17.03
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-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropyl-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-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-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropyl-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-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone (PubChem CID 157233880) has the molecular formula C103H125FN32O7 and a molecular weight of 1942.35 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-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropyl-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-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-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropyl-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-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone
PubChem CID157233880
Molecular FormulaC103H125FN32O7
Molecular Weight1942.35 g/mol
Exact Mass1941.04
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-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropyl-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-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone
SMILESCC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CC4)cc3OC)nc2N1C1CCCC1.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
InChIInChI=1S/C27H34N8O2.C26H31FN8O2.C26H32N8O2.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;1-4-20-24-32-31-15(2)33(24)21-14-27-26(30-23(21)34(20)18-7-5-6-8-18)29-19-12-9-16(13-22(19)36-3)25(35)28-17-10-11-17;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);9,12-14,17-18,20H,4-8,10-11H2,1-3H3,(H,28,35)(H,27,29,30);7-10,13-14,16,18-19H,2-6,11-12H2,1H3,(H,27,33)(H,25,28,29)/t21-;17-,20+;20-;19-/m1011/s1
InChIKeyAUKIYKNVPZWQCX-JFYZYCEGSA-N
XLogP17.03
TPSA422.34 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds26
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001942.35
LogP ≤ 517.03
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

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-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropyl-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-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone with MolForge

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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-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropyl-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-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-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropyl-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-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone (CID 157233880) 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-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropyl-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-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-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropyl-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-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-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropyl-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-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone is CC[C@@H]1c2nnc(C)n2-c2cnc(Nc3ccc(C(=O)NC4CC4)cc3OC)nc2N1C1CCCC1.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.
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-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropyl-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-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone?
The InChIKey is AUKIYKNVPZWQCX-JFYZYCEGSA-N. The full InChI is InChI=1S/C27H34N8O2.C26H31FN8O2.C26H32N8O2.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;1-4-20-24-32-31-15(2)33(24)21-14-27-26(30-23(21)34(20)18-7-5-6-8-18)29-19-12-9-16(13-22(19)36-3)25(35)28-17-10-11-17;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);9,12-14,17-18,20H,4-8,10-11H2,1-3H3,(H,28,35)(H,27,29,30);7-10,13-14,16,18-19H,2-6,11-12H2,1H3,(H,27,33)(H,25,28,29)/t21-;17-,20+;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-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropyl-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-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-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropyl-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-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone has a molecular weight of 1942.35 g/mol, XLogP of 17.03, 26 rotatable bonds, 7 hydrogen bond donors, and 35 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-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-cyclopropyl-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-methoxyphenyl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone is sourced from PubChem (CID 157233880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).