2-(2-methyl-4-pyridinyl)-N-[(3R)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine

C18H20N4O — CID 164564817

IUPAC2-(2-methyl-4-pyridinyl)-N-[(3R)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine
SMILESCc1cc(-c2cc3cnc(N[C@@H]4CCCOC4)cc3[nH]2)ccn1
InChIInChI=1S/C18H20N4O/c1-12-7-13(4-5-19-12)16-8-14-10-20-18(9-17(14)22-16)21-15-3-2-6-23-11-15/h4-5,7-10,15,22H,2-3,6,11H2,1H3,(H,20,21)/t15-/m1/s1
InChIKeyBHLJLLHYMOKTPO-OAHLLOKOSA-N
MW308.39 g/mol
LogP3.52
Rot. Bonds3

About 2-(2-methyl-4-pyridinyl)-N-[(3R)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine

2-(2-methyl-4-pyridinyl)-N-[(3R)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine (PubChem CID 164564817) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-(2-methyl-4-pyridinyl)-N-[(3R)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound Name2-(2-methyl-4-pyridinyl)-N-[(3R)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine
PubChem CID164564817
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2-(2-methyl-4-pyridinyl)-N-[(3R)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine
SMILESCc1cc(-c2cc3cnc(N[C@@H]4CCCOC4)cc3[nH]2)ccn1
InChIInChI=1S/C18H20N4O/c1-12-7-13(4-5-19-12)16-8-14-10-20-18(9-17(14)22-16)21-15-3-2-6-23-11-15/h4-5,7-10,15,22H,2-3,6,11H2,1H3,(H,20,21)/t15-/m1/s1
InChIKeyBHLJLLHYMOKTPO-OAHLLOKOSA-N
XLogP3.52
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-methyl-4-pyridinyl)-N-[(3R)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine with MolForge

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Related Compounds

(2S)-1-({4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}amino)propan-2-ol
CID 9863786
2-Methyl-3-{[4-(Pyridin-2-Yl)piperazin-1-Yl]methyl}-1h-Indole
CID 2813100
5H-Pyrrolo(3,2-d)pyrimidine, 2-methyl-4-(4-morpholinyl)-6-phenyl-
CID 3087469
1-methyl-4-(4-morpholin-4-yl-7H-pyrrolo(2,3-d)pyrimidin-5-yl)pyrrole-2-carbonitrile
CID 89915073
(2R)-1-({4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}amino)propan-2-ol
CID 10937337
4-(2-(1H-indol-6-yl)-9H-purin-6-yl)morpholine
CID 46225260
1-Cyclopentyl-N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-1h-Pyrrolo[3,2-C]pyridin-6-Amine
CID 86278565
trans-N1-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl)cyclohexane-1,4-diamine
CID 44415997
1-[4-(4-Morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]-3-pyridin-4-ylurea
CID 44600806
4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 71253640
3-(5-ethyl-1-methyl-1H-pyrazol-3-yl)-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 71548179
(3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-c]pyridin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine
CID 118720886

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-pyridinyl)-N-[(3R)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine?
The IUPAC name of 2-(2-methyl-4-pyridinyl)-N-[(3R)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine (CID 164564817) is 2-(2-methyl-4-pyridinyl)-N-[(3R)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine.
What is the SMILES notation for 2-(2-methyl-4-pyridinyl)-N-[(3R)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine?
The canonical SMILES for 2-(2-methyl-4-pyridinyl)-N-[(3R)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine is Cc1cc(-c2cc3cnc(N[C@@H]4CCCOC4)cc3[nH]2)ccn1.
What is the InChIKey of 2-(2-methyl-4-pyridinyl)-N-[(3R)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine?
The InChIKey is BHLJLLHYMOKTPO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-7-13(4-5-19-12)16-8-14-10-20-18(9-17(14)22-16)21-15-3-2-6-23-11-15/h4-5,7-10,15,22H,2-3,6,11H2,1H3,(H,20,21)/t15-/m1/s1.
What are the key properties of 2-(2-methyl-4-pyridinyl)-N-[(3R)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine?
2-(2-methyl-4-pyridinyl)-N-[(3R)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine has a molecular weight of 308.39 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-pyridinyl)-N-[(3R)-oxan-3-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 164564817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).