1-[4-(4-aminophenyl)-5-(1-methylpyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-yl]piperidin-4-amine

C22H24N8 — CID 123668447

IUPAC1-[4-(4-aminophenyl)-5-(1-methylpyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-yl]piperidin-4-amine
SMILESCn1ncc2nc(-c3cnc(N4CCC(N)CC4)nc3-c3ccc(N)cc3)ccc21
InChIInChI=1S/C22H24N8/c1-29-20-7-6-18(27-19(20)13-26-29)17-12-25-22(30-10-8-16(24)9-11-30)28-21(17)14-2-4-15(23)5-3-14/h2-7,12-13,16H,8-11,23-24H2,1H3
InChIKeyPULCDIPYVWHMQI-UHFFFAOYSA-N
MW400.49 g/mol
LogP2.60
Rot. Bonds3

About 1-[4-(4-aminophenyl)-5-(1-methylpyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-yl]piperidin-4-amine

1-[4-(4-aminophenyl)-5-(1-methylpyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-yl]piperidin-4-amine (PubChem CID 123668447) has the molecular formula C22H24N8 and a molecular weight of 400.49 g/mol. Its IUPAC name is 1-[4-(4-aminophenyl)-5-(1-methylpyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-(4-aminophenyl)-5-(1-methylpyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-yl]piperidin-4-amine
PubChem CID123668447
Molecular FormulaC22H24N8
Molecular Weight400.49 g/mol
Exact Mass400.21
IUPAC Name1-[4-(4-aminophenyl)-5-(1-methylpyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-yl]piperidin-4-amine
SMILESCn1ncc2nc(-c3cnc(N4CCC(N)CC4)nc3-c3ccc(N)cc3)ccc21
InChIInChI=1S/C22H24N8/c1-29-20-7-6-18(27-19(20)13-26-29)17-12-25-22(30-10-8-16(24)9-11-30)28-21(17)14-2-4-15(23)5-3-14/h2-7,12-13,16H,8-11,23-24H2,1H3
InChIKeyPULCDIPYVWHMQI-UHFFFAOYSA-N
XLogP2.60
TPSA111.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-aminophenyl)-5-(1,4-dimethyl-5H-pyrazolo[4,5-d]pyrimidin-5-yl)pyrimidin-2-yl]piperidin-4-amine
CID 123648611
4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)pyrimidin-4-yl]benzonitrile
CID 122621730
1-(4-methyl-5-phenylpyrimidin-2-yl)piperidin-4-amine
CID 103278594
1-[5-(1,2-dimethyl-7aH-indazol-6-yl)-4-[4-(methylamino)phenyl]pyrimidin-2-yl]piperidin-4-amine
CID 167185493
4-[2-(2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepin-6-yl)-5-(1,3-benzothiazol-5-yl)pyrimidin-4-yl]aniline
CID 123888902
1-[4-(4-aminophenyl)-5-[1-amino-3-(2,2,2-trifluoroethylimino)prop-1-en-2-yl]pyrimidin-2-yl]piperidin-4-amine
CID 174023270
5-(5-cyclopropyl-1H-pyrazol-4-yl)-1-methylpyrazolo[4,5-b]pyridine
CID 175943844
1-[4-(4-amino-3-fluorophenyl)-5-(2,3,7-trimethyl-6,7-dihydroindazol-5-yl)pyrimidin-2-yl]piperidin-4-amine
CID 123910325
1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-amine
CID 103278591
1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-amine
CID 67439094
1-(5H-chromeno[4,3-d]pyrimidin-2-yl)piperidin-4-amine
CID 103278561
1-(8-methyl-5H-indeno[1,2-d]pyrimidin-2-yl)piperidin-4-amine
CID 103278636

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminophenyl)-5-(1-methylpyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[4-(4-aminophenyl)-5-(1-methylpyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-yl]piperidin-4-amine (CID 123668447) is 1-[4-(4-aminophenyl)-5-(1-methylpyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[4-(4-aminophenyl)-5-(1-methylpyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[4-(4-aminophenyl)-5-(1-methylpyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-yl]piperidin-4-amine is Cn1ncc2nc(-c3cnc(N4CCC(N)CC4)nc3-c3ccc(N)cc3)ccc21.
What is the InChIKey of 1-[4-(4-aminophenyl)-5-(1-methylpyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-yl]piperidin-4-amine?
The InChIKey is PULCDIPYVWHMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8/c1-29-20-7-6-18(27-19(20)13-26-29)17-12-25-22(30-10-8-16(24)9-11-30)28-21(17)14-2-4-15(23)5-3-14/h2-7,12-13,16H,8-11,23-24H2,1H3.
What are the key properties of 1-[4-(4-aminophenyl)-5-(1-methylpyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-yl]piperidin-4-amine?
1-[4-(4-aminophenyl)-5-(1-methylpyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-yl]piperidin-4-amine has a molecular weight of 400.49 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminophenyl)-5-(1-methylpyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-yl]piperidin-4-amine is sourced from PubChem (CID 123668447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).