N-[2-[(3S)-3-amino-4-methylpiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine

C20H28N8 — CID 148710744

IUPACN-[2-[(3S)-3-amino-4-methylpiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
SMILESCc1nc2cnc(Nc3ccnc(N4CCC(C)[C@H](N)C4)n3)cc2n1C(C)C
InChIInChI=1S/C20H28N8/c1-12(2)28-14(4)24-16-10-23-19(9-17(16)28)25-18-5-7-22-20(26-18)27-8-6-13(3)15(21)11-27/h5,7,9-10,12-13,15H,6,8,11,21H2,1-4H3,(H,22,23,25,26)/t13?,15-/m1/s1
InChIKeyNXEKIMBZNNGTPL-AWKYBWMHSA-N
MW380.50 g/mol
LogP3.03
Rot. Bonds4

About N-[2-[(3S)-3-amino-4-methylpiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine

N-[2-[(3S)-3-amino-4-methylpiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine (PubChem CID 148710744) has the molecular formula C20H28N8 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-[2-[(3S)-3-amino-4-methylpiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[2-[(3S)-3-amino-4-methylpiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
PubChem CID148710744
Molecular FormulaC20H28N8
Molecular Weight380.50 g/mol
Exact Mass380.24
IUPAC NameN-[2-[(3S)-3-amino-4-methylpiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
SMILESCc1nc2cnc(Nc3ccnc(N4CCC(C)[C@H](N)C4)n3)cc2n1C(C)C
InChIInChI=1S/C20H28N8/c1-12(2)28-14(4)24-16-10-23-19(9-17(16)28)25-18-5-7-22-20(26-18)27-8-6-13(3)15(21)11-27/h5,7,9-10,12-13,15H,6,8,11,21H2,1-4H3,(H,22,23,25,26)/t13?,15-/m1/s1
InChIKeyNXEKIMBZNNGTPL-AWKYBWMHSA-N
XLogP3.03
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[(3S)-3-amino-4-methylpiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine with MolForge

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Related Compounds

2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 144632896
2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;molecular hydrogen
CID 144632895
2-methyl-N-[2-(4-methylsulfonylpiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 91971390
N-[2-[(3S,4R)-3-fluoro-4-methylsulfanylpiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 118661693
1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile
CID 90183914
2-methyl-1-propan-2-yl-N-[2-(4-propan-2-ylsulfinylpiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine
CID 129271175
2-methyl-1-propan-2-yl-N-[2-(4-propylsulfonylpiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine
CID 118661753
N-[2-[(3R,4R)-3-azido-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 90183494
[6-[[2-[(3S,4R)-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methanol
CID 90183617
2-methyl-1-propan-2-yl-N-[2-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine
CID 90184058
N-[2-[4-imino-3-(methyliminomethyl)piperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 123361150
(3R,4S)-3-methyl-1-[4-[[2-(oxan-2-yloxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 90183593

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-amino-4-methylpiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of N-[2-[(3S)-3-amino-4-methylpiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine (CID 148710744) is N-[2-[(3S)-3-amino-4-methylpiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for N-[2-[(3S)-3-amino-4-methylpiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for N-[2-[(3S)-3-amino-4-methylpiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine is Cc1nc2cnc(Nc3ccnc(N4CCC(C)[C@H](N)C4)n3)cc2n1C(C)C.
What is the InChIKey of N-[2-[(3S)-3-amino-4-methylpiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is NXEKIMBZNNGTPL-AWKYBWMHSA-N. The full InChI is InChI=1S/C20H28N8/c1-12(2)28-14(4)24-16-10-23-19(9-17(16)28)25-18-5-7-22-20(26-18)27-8-6-13(3)15(21)11-27/h5,7,9-10,12-13,15H,6,8,11,21H2,1-4H3,(H,22,23,25,26)/t13?,15-/m1/s1.
What are the key properties of N-[2-[(3S)-3-amino-4-methylpiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
N-[2-[(3S)-3-amino-4-methylpiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 380.50 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-amino-4-methylpiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 148710744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).