4-piperazin-1-yl-5-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidine

C21H23N7 — CID 90098709

IUPAC4-piperazin-1-yl-5-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidine
SMILESCC(C)c1cncc2nc(-c3ccnc4[nH]ccc34)nc(N3CCNCC3)c12
InChIInChI=1S/C21H23N7/c1-13(2)16-11-23-12-17-18(16)21(28-9-7-22-8-10-28)27-20(26-17)15-4-6-25-19-14(15)3-5-24-19/h3-6,11-13,22H,7-10H2,1-2H3,(H,24,25)
InChIKeyXEOLUFDTNRZMQC-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.10
Rot. Bonds3

About 4-piperazin-1-yl-5-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidine

4-piperazin-1-yl-5-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidine (PubChem CID 90098709) has the molecular formula C21H23N7 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-piperazin-1-yl-5-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-piperazin-1-yl-5-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidine
PubChem CID90098709
Molecular FormulaC21H23N7
Molecular Weight373.46 g/mol
Exact Mass373.20
IUPAC Name4-piperazin-1-yl-5-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidine
SMILESCC(C)c1cncc2nc(-c3ccnc4[nH]ccc34)nc(N3CCNCC3)c12
InChIInChI=1S/C21H23N7/c1-13(2)16-11-23-12-17-18(16)21(28-9-7-22-8-10-28)27-20(26-17)15-4-6-25-19-14(15)3-5-24-19/h3-6,11-13,22H,7-10H2,1-2H3,(H,24,25)
InChIKeyXEOLUFDTNRZMQC-UHFFFAOYSA-N
XLogP3.10
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-(4-piperazin-1-yl-5-propan-2-ylpyrido[3,4-d]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 155394421
5-bromo-4-piperazin-1-yl-2-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrido[3,4-d]pyrimidine
CID 90099467
2-(3-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
CID 90099564
5-(cyclobutadienyl)-4-piperazin-1-yl-2-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrido[3,4-d]pyrimidine
CID 90099381
5-(cyclobutadienyl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
CID 90099346
2-[2-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
CID 121279942
5-cyclopropyl-2-[2-[(2-methyloxolan-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
CID 144599759
2-(3-bromo-4-pyridinyl)-5-cyclobutyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
CID 118224834
4-(5-cyclobutyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-5,8-difluoro-9H-pyrido[2,3-b]indole
CID 123791487
N-(1-methylcyclopropyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 135368330
4-[5-(cyclobutadienyl)-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]pyridin-2-amine
CID 90098690
5-cyclopropyl-2-[3-(4-fluorophenyl)-4-pyridinyl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
CID 118225006

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-5-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidine?
The IUPAC name of 4-piperazin-1-yl-5-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidine (CID 90098709) is 4-piperazin-1-yl-5-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-piperazin-1-yl-5-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-piperazin-1-yl-5-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidine is CC(C)c1cncc2nc(-c3ccnc4[nH]ccc34)nc(N3CCNCC3)c12.
What is the InChIKey of 4-piperazin-1-yl-5-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidine?
The InChIKey is XEOLUFDTNRZMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7/c1-13(2)16-11-23-12-17-18(16)21(28-9-7-22-8-10-28)27-20(26-17)15-4-6-25-19-14(15)3-5-24-19/h3-6,11-13,22H,7-10H2,1-2H3,(H,24,25).
What are the key properties of 4-piperazin-1-yl-5-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidine?
4-piperazin-1-yl-5-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidine has a molecular weight of 373.46 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-5-propan-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 90098709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).