N-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine

C20H22ClN9 — CID 138467526

IUPACN-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine
SMILESCc1c(Nc2ncc(Cl)c(-c3cnc4ccccn34)n2)cnn1C1CCN(N)CC1
InChIInChI=1S/C20H22ClN9/c1-13-16(11-25-30(13)14-5-8-28(22)9-6-14)26-20-24-10-15(21)19(27-20)17-12-23-18-4-2-3-7-29(17)18/h2-4,7,10-12,14H,5-6,8-9,22H2,1H3,(H,24,26,27)
InChIKeyYSKJBLNMLQRSRG-UHFFFAOYSA-N
MW423.91 g/mol
LogP3.20
Rot. Bonds4

About N-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine

N-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine (PubChem CID 138467526) has the molecular formula C20H22ClN9 and a molecular weight of 423.91 g/mol. Its IUPAC name is N-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine
PubChem CID138467526
Molecular FormulaC20H22ClN9
Molecular Weight423.91 g/mol
Exact Mass423.17
IUPAC NameN-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine
SMILESCc1c(Nc2ncc(Cl)c(-c3cnc4ccccn34)n2)cnn1C1CCN(N)CC1
InChIInChI=1S/C20H22ClN9/c1-13-16(11-25-30(13)14-5-8-28(22)9-6-14)26-20-24-10-15(21)19(27-20)17-12-23-18-4-2-3-7-29(17)18/h2-4,7,10-12,14H,5-6,8-9,22H2,1H3,(H,24,26,27)
InChIKeyYSKJBLNMLQRSRG-UHFFFAOYSA-N
XLogP3.20
TPSA102.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.91
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxyphenyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine
CID 59291184
1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-2,3-dimethylphenyl]piperazin-1-yl]ethanone
CID 45381987
5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine
CID 45381799
4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-N,N-dimethylpiperidine-1-carboxamide
CID 45381642
2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanol
CID 45380694
1-[[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methyl]azetidin-3-ol
CID 68594167
2-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]propanamide
CID 91082116
2-[[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methylamino]ethanol
CID 68593290
1-[3-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenoxy]azetidin-1-yl]propan-2-ol
CID 68608177
[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 59291061
5-chloro-4-methoxy-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 69281706
1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-ethylpyrazol-1-yl]piperidin-1-yl]ethanone
CID 127050855

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine (CID 138467526) is N-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine is Cc1c(Nc2ncc(Cl)c(-c3cnc4ccccn34)n2)cnn1C1CCN(N)CC1.
What is the InChIKey of N-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine?
The InChIKey is YSKJBLNMLQRSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN9/c1-13-16(11-25-30(13)14-5-8-28(22)9-6-14)26-20-24-10-15(21)19(27-20)17-12-23-18-4-2-3-7-29(17)18/h2-4,7,10-12,14H,5-6,8-9,22H2,1H3,(H,24,26,27).
What are the key properties of N-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine?
N-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine has a molecular weight of 423.91 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-aminopiperidin-4-yl)-5-methylpyrazol-4-yl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 138467526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).