N-[4-[[6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]acetamide

C26H32N8O2 — CID 20609909

IUPACN-[4-[[6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2nc(NCc3ccc(-c4ccco4)nc3)c3ncn(C(C)C)c3n2)CC1
InChIInChI=1S/C26H32N8O2/c1-16(2)34-15-29-23-24(28-14-18-6-11-21(27-13-18)22-5-4-12-36-22)32-26(33-25(23)34)31-20-9-7-19(8-10-20)30-17(3)35/h4-6,11-13,15-16,19-20H,7-10,14H2,1-3H3,(H,30,35)(H2,28,31,32,33)
InChIKeyOTZGGBGOXCQURC-UHFFFAOYSA-N
MW488.60 g/mol
LogP4.53
Rot. Bonds8

About N-[4-[[6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]acetamide

N-[4-[[6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]acetamide (PubChem CID 20609909) has the molecular formula C26H32N8O2 and a molecular weight of 488.60 g/mol. Its IUPAC name is N-[4-[[6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]acetamide
PubChem CID20609909
Molecular FormulaC26H32N8O2
Molecular Weight488.60 g/mol
Exact Mass488.26
IUPAC NameN-[4-[[6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2nc(NCc3ccc(-c4ccco4)nc3)c3ncn(C(C)C)c3n2)CC1
InChIInChI=1S/C26H32N8O2/c1-16(2)34-15-29-23-24(28-14-18-6-11-21(27-13-18)22-5-4-12-36-22)32-26(33-25(23)34)31-20-9-7-19(8-10-20)30-17(3)35/h4-6,11-13,15-16,19-20H,7-10,14H2,1-3H3,(H,30,35)(H2,28,31,32,33)
InChIKeyOTZGGBGOXCQURC-UHFFFAOYSA-N
XLogP4.53
TPSA122.79 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.60
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[4-[[6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]acetamide with MolForge

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Related Compounds

Serabelisib
CID 70798655
Las-38096
CID 11716665
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-(morpholin-4-yl)benzamide
CID 16099846
(E/Z)-2-Cyano-3-(5-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)furan-2-yl)-N,N-dimethylacrylamide
CID 122197584
Noberastine
CID 60531
Jak3-IN-5
CID 122362932
2-Cyano-3-[5-(3-Cyclohexyl-3,5,8,10-Tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-Pentaen-4-Yl)furan-2-Yl]-~{n},~{n}-Dimethyl-Prop-2-Enamide
CID 138108525
9-(3-aminobenzyl)-6-(2-furyl)-9H-purine-2-amine
CID 9836155
Pyrimidine-4-carboxamide, 26
CID 11220580
4-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 21976428
1-{(3s)-1-[4-(1-Benzofuran-2-Yl)pyrimidin-2-Yl]piperidin-3-Yl}-3-Ethyl-1,3-Dihydro-2h-Benzimidazol-2-One
CID 25198728
6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine
CID 44401799

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]acetamide (CID 20609909) is N-[4-[[6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]acetamide is CC(=O)NC1CCC(Nc2nc(NCc3ccc(-c4ccco4)nc3)c3ncn(C(C)C)c3n2)CC1.
What is the InChIKey of N-[4-[[6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]acetamide?
The InChIKey is OTZGGBGOXCQURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O2/c1-16(2)34-15-29-23-24(28-14-18-6-11-21(27-13-18)22-5-4-12-36-22)32-26(33-25(23)34)31-20-9-7-19(8-10-20)30-17(3)35/h4-6,11-13,15-16,19-20H,7-10,14H2,1-3H3,(H,30,35)(H2,28,31,32,33).
What are the key properties of N-[4-[[6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]acetamide?
N-[4-[[6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]acetamide has a molecular weight of 488.60 g/mol, XLogP of 4.53, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-[[6-(furan-2-yl)-3-pyridinyl]methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 20609909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).