N-[(1R)-1-phenylethyl]-1H-imidazo[4,5-c]pyridin-4-amine;N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-(2-phenylpropyl)-7H-purin-6-amine

C41H42N14 — CID 164967090

IUPACN-[(1R)-1-phenylethyl]-1H-imidazo[4,5-c]pyridin-4-amine;N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-(2-phenylpropyl)-7H-purin-6-amine
SMILESCC(CNc1ncnc2nc[nH]c12)c1ccccc1.C[C@@H](Nc1nccc2[nH]cnc12)c1ccccc1.C[C@@H](Nc1ncnc2nc[nH]c12)c1ccccc1
InChIInChI=1S/C14H15N5.C14H14N4.C13H13N5/c1-10(11-5-3-2-4-6-11)7-15-13-12-14(17-8-16-12)19-9-18-13;1-10(11-5-3-2-4-6-11)18-14-13-12(7-8-15-14)16-9-17-13;1-9(10-5-3-2-4-6-10)18-13-11-12(15-7-14-11)16-8-17-13/h2-6,8-10H,7H2,1H3,(H2,15,16,17,18,19);2-10H,1H3,(H,15,18)(H,16,17);2-9H,1H3,(H2,14,15,16,17,18)/t;10-;9-/m.11/s1
InChIKeyCPWWENLEEYRDDC-YHMLMLPGSA-N
MW730.89 g/mol
LogP8.23
Rot. Bonds10

About N-[(1R)-1-phenylethyl]-1H-imidazo[4,5-c]pyridin-4-amine;N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-(2-phenylpropyl)-7H-purin-6-amine

N-[(1R)-1-phenylethyl]-1H-imidazo[4,5-c]pyridin-4-amine;N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-(2-phenylpropyl)-7H-purin-6-amine (PubChem CID 164967090) has the molecular formula C41H42N14 and a molecular weight of 730.89 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-1H-imidazo[4,5-c]pyridin-4-amine;N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-(2-phenylpropyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-1H-imidazo[4,5-c]pyridin-4-amine;N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-(2-phenylpropyl)-7H-purin-6-amine
PubChem CID164967090
Molecular FormulaC41H42N14
Molecular Weight730.89 g/mol
Exact Mass730.37
IUPAC NameN-[(1R)-1-phenylethyl]-1H-imidazo[4,5-c]pyridin-4-amine;N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-(2-phenylpropyl)-7H-purin-6-amine
SMILESCC(CNc1ncnc2nc[nH]c12)c1ccccc1.C[C@@H](Nc1nccc2[nH]cnc12)c1ccccc1.C[C@@H](Nc1ncnc2nc[nH]c12)c1ccccc1
InChIInChI=1S/C14H15N5.C14H14N4.C13H13N5/c1-10(11-5-3-2-4-6-11)7-15-13-12-14(17-8-16-12)19-9-18-13;1-10(11-5-3-2-4-6-11)18-14-13-12(7-8-15-14)16-9-17-13;1-9(10-5-3-2-4-6-10)18-13-11-12(15-7-14-11)16-8-17-13/h2-6,8-10H,7H2,1H3,(H2,15,16,17,18,19);2-10H,1H3,(H,15,18)(H,16,17);2-9H,1H3,(H2,14,15,16,17,18)/t;10-;9-/m.11/s1
InChIKeyCPWWENLEEYRDDC-YHMLMLPGSA-N
XLogP8.23
TPSA186.58 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500730.89
LogP ≤ 58.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze N-[(1R)-1-phenylethyl]-1H-imidazo[4,5-c]pyridin-4-amine;N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-(2-phenylpropyl)-7H-purin-6-amine with MolForge

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Related Compounds

N-[(1R)-1-phenylethyl]-7H-purin-6-amine
CID 2155048
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-7H-purin-6-amine
CID 69097613
N-[1-(3-phenyl-1H-benzimidazol-3-ium-2-yl)ethyl]-7H-purin-6-amine
CID 123434309
1-phenyl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 63761376
N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-7H-purin-6-amine
CID 47984131
3-methyl-1-(7H-purin-6-ylamino)butan-2-ol
CID 5042339
N-benzyl-7H-purin-6-amine;7H-purine
CID 70256184
N-(2,2-difluoroethyl)-7H-purin-6-amine
CID 79098846
2-[(7H-purin-6-ylamino)methyl]butanoic acid
CID 65226734
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479
3-[(1S)-1-phenylethyl]-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]pyrrolo[1,2-a][1,3,5]triazin-4-one
CID 70979544
2-methyl-N-(7H-purin-6-yl)butane-1,4-diamine
CID 66109410

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-1H-imidazo[4,5-c]pyridin-4-amine;N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-(2-phenylpropyl)-7H-purin-6-amine?
The IUPAC name of N-[(1R)-1-phenylethyl]-1H-imidazo[4,5-c]pyridin-4-amine;N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-(2-phenylpropyl)-7H-purin-6-amine (CID 164967090) is N-[(1R)-1-phenylethyl]-1H-imidazo[4,5-c]pyridin-4-amine;N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-(2-phenylpropyl)-7H-purin-6-amine.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-1H-imidazo[4,5-c]pyridin-4-amine;N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-(2-phenylpropyl)-7H-purin-6-amine?
The canonical SMILES for N-[(1R)-1-phenylethyl]-1H-imidazo[4,5-c]pyridin-4-amine;N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-(2-phenylpropyl)-7H-purin-6-amine is CC(CNc1ncnc2nc[nH]c12)c1ccccc1.C[C@@H](Nc1nccc2[nH]cnc12)c1ccccc1.C[C@@H](Nc1ncnc2nc[nH]c12)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-1H-imidazo[4,5-c]pyridin-4-amine;N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-(2-phenylpropyl)-7H-purin-6-amine?
The InChIKey is CPWWENLEEYRDDC-YHMLMLPGSA-N. The full InChI is InChI=1S/C14H15N5.C14H14N4.C13H13N5/c1-10(11-5-3-2-4-6-11)7-15-13-12-14(17-8-16-12)19-9-18-13;1-10(11-5-3-2-4-6-11)18-14-13-12(7-8-15-14)16-9-17-13;1-9(10-5-3-2-4-6-10)18-13-11-12(15-7-14-11)16-8-17-13/h2-6,8-10H,7H2,1H3,(H2,15,16,17,18,19);2-10H,1H3,(H,15,18)(H,16,17);2-9H,1H3,(H2,14,15,16,17,18)/t;10-;9-/m.11/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-1H-imidazo[4,5-c]pyridin-4-amine;N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-(2-phenylpropyl)-7H-purin-6-amine?
N-[(1R)-1-phenylethyl]-1H-imidazo[4,5-c]pyridin-4-amine;N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-(2-phenylpropyl)-7H-purin-6-amine has a molecular weight of 730.89 g/mol, XLogP of 8.23, 10 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-1H-imidazo[4,5-c]pyridin-4-amine;N-[(1R)-1-phenylethyl]-7H-purin-6-amine;N-(2-phenylpropyl)-7H-purin-6-amine is sourced from PubChem (CID 164967090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).