5-chloro-4-piperazin-1-yl-8-(1H-pyrazol-5-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine

C19H17ClN8 — CID 86716661

IUPAC5-chloro-4-piperazin-1-yl-8-(1H-pyrazol-5-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine
SMILESClc1cnc(-c2ccn[nH]2)c2nc(-c3ccncc3)nc(N3CCNCC3)c12
InChIInChI=1S/C19H17ClN8/c20-13-11-23-16(14-3-6-24-27-14)17-15(13)19(28-9-7-22-8-10-28)26-18(25-17)12-1-4-21-5-2-12/h1-6,11,22H,7-10H2,(H,24,27)
InChIKeyOTRBSPIUAXYXGM-UHFFFAOYSA-N
MW392.85 g/mol
LogP2.54
Rot. Bonds3

About 5-chloro-4-piperazin-1-yl-8-(1H-pyrazol-5-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine

5-chloro-4-piperazin-1-yl-8-(1H-pyrazol-5-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine (PubChem CID 86716661) has the molecular formula C19H17ClN8 and a molecular weight of 392.85 g/mol. Its IUPAC name is 5-chloro-4-piperazin-1-yl-8-(1H-pyrazol-5-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name5-chloro-4-piperazin-1-yl-8-(1H-pyrazol-5-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine
PubChem CID86716661
Molecular FormulaC19H17ClN8
Molecular Weight392.85 g/mol
Exact Mass392.13
IUPAC Name5-chloro-4-piperazin-1-yl-8-(1H-pyrazol-5-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine
SMILESClc1cnc(-c2ccn[nH]2)c2nc(-c3ccncc3)nc(N3CCNCC3)c12
InChIInChI=1S/C19H17ClN8/c20-13-11-23-16(14-3-6-24-27-14)17-15(13)19(28-9-7-22-8-10-28)26-18(25-17)12-1-4-21-5-2-12/h1-6,11,22H,7-10H2,(H,24,27)
InChIKeyOTRBSPIUAXYXGM-UHFFFAOYSA-N
XLogP2.54
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Benzo[c]-2,6-naphthyridin-5-amine, N-(2-chlorophenyl)-7-(1H-1,2,4-triazol-5-yl)-
CID 44222958
4-(5-chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(dimethylamino)piperidin-1-yl)pyridin-2-yl)pyrimidin-2-amine
CID 49765254
Pyrazine-Pyridine Biheteroaryl 57
CID 5330391
N-(4-chlorophenyl)-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-amine
CID 6419383
4-[5-Chloro-3-(1-Methylethyl)-1h-Pyrazol-4-Yl]-N-(5-Piperazin-1-Ylpyridin-2-Yl)pyrimidin-2-Amine
CID 49800100
4-[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-N-methylpyridin-2-amine
CID 132166808
1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 132166959
N-ethyl-6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-amine
CID 89914090
N-(1-(1-((2-Chloro-6-methylpyridin-4-yl)methyl)-1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl)-4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxamide
CID 11422298
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2-chlorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70981589
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(3-chloro-2-pyridinyl)imidazo[1,5-b]pyridazin-7-amine
CID 71007233
(S)-1-(6-(5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)piperidin-3-amine
CID 71253342

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-piperazin-1-yl-8-(1H-pyrazol-5-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine?
The IUPAC name of 5-chloro-4-piperazin-1-yl-8-(1H-pyrazol-5-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine (CID 86716661) is 5-chloro-4-piperazin-1-yl-8-(1H-pyrazol-5-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 5-chloro-4-piperazin-1-yl-8-(1H-pyrazol-5-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 5-chloro-4-piperazin-1-yl-8-(1H-pyrazol-5-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine is Clc1cnc(-c2ccn[nH]2)c2nc(-c3ccncc3)nc(N3CCNCC3)c12.
What is the InChIKey of 5-chloro-4-piperazin-1-yl-8-(1H-pyrazol-5-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine?
The InChIKey is OTRBSPIUAXYXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN8/c20-13-11-23-16(14-3-6-24-27-14)17-15(13)19(28-9-7-22-8-10-28)26-18(25-17)12-1-4-21-5-2-12/h1-6,11,22H,7-10H2,(H,24,27).
What are the key properties of 5-chloro-4-piperazin-1-yl-8-(1H-pyrazol-5-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine?
5-chloro-4-piperazin-1-yl-8-(1H-pyrazol-5-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine has a molecular weight of 392.85 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-piperazin-1-yl-8-(1H-pyrazol-5-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 86716661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).