2-[[4-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline

C24H27N7 — CID 177177245

IUPAC2-[[4-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
SMILESCc1nc(CN2CCC(c3cc(-c4cnn5c4CCC5)n[nH]3)CC2)nc2ccccc12
InChIInChI=1S/C24H27N7/c1-16-18-5-2-3-6-20(18)27-24(26-16)15-30-11-8-17(9-12-30)21-13-22(29-28-21)19-14-25-31-10-4-7-23(19)31/h2-3,5-6,13-14,17H,4,7-12,15H2,1H3,(H,28,29)
InChIKeyQMDXUBBHCUAKMD-UHFFFAOYSA-N
MW413.53 g/mol
LogP3.85
Rot. Bonds4

About 2-[[4-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline

2-[[4-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline (PubChem CID 177177245) has the molecular formula C24H27N7 and a molecular weight of 413.53 g/mol. Its IUPAC name is 2-[[4-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline.

Molecular Properties

Compound Name2-[[4-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
PubChem CID177177245
Molecular FormulaC24H27N7
Molecular Weight413.53 g/mol
Exact Mass413.23
IUPAC Name2-[[4-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
SMILESCc1nc(CN2CCC(c3cc(-c4cnn5c4CCC5)n[nH]3)CC2)nc2ccccc12
InChIInChI=1S/C24H27N7/c1-16-18-5-2-3-6-20(18)27-24(26-16)15-30-11-8-17(9-12-30)21-13-22(29-28-21)19-14-25-31-10-4-7-23(19)31/h2-3,5-6,13-14,17H,4,7-12,15H2,1H3,(H,28,29)
InChIKeyQMDXUBBHCUAKMD-UHFFFAOYSA-N
XLogP3.85
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline with MolForge

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Launch Full Analysis

Related Compounds

N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
CID 9998128
7-Fluoro-4-(5-Methyl-3h-Imidazo[4,5-B]pyridin-6-Yl)-2,4-Dihydropyrazolo[4,3-B]indole
CID 73426341
(R)-2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11581252
6-[6-(1H-pyrazol-4-yl)-[1,2,3]triazolo[4,5-b]pyrazin-1-ylmethyl]-quinoline
CID 24851953
US10485800, Cmpd ID FS
CID 54765268
(R)-1-(6-(5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)pyrrolidin-3-amine
CID 71253906
5-(1-ethylpyrazol-4-yl)-3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 71253958
2-(1-methyl-1H-imidazol-2-yl)-8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridine
CID 118660604
N~1~-[2-(1h-Indazol-5-Yl)pyrido[3,4-D]pyrimidin-4-Yl]-2-Methylpropane-1,2-Diamine
CID 78673872
5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridin-3-yl)-1H-indazole
CID 46890954
N-(5-methyl-1H-pyrazol-3-yl)-2-(pyridin-4-yl)quinazolin-4-amine
CID 9901007
4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
CID 9945436

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline?
The IUPAC name of 2-[[4-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline (CID 177177245) is 2-[[4-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline.
What is the SMILES notation for 2-[[4-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline?
The canonical SMILES for 2-[[4-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline is Cc1nc(CN2CCC(c3cc(-c4cnn5c4CCC5)n[nH]3)CC2)nc2ccccc12.
What is the InChIKey of 2-[[4-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline?
The InChIKey is QMDXUBBHCUAKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7/c1-16-18-5-2-3-6-20(18)27-24(26-16)15-30-11-8-17(9-12-30)21-13-22(29-28-21)19-14-25-31-10-4-7-23(19)31/h2-3,5-6,13-14,17H,4,7-12,15H2,1H3,(H,28,29).
What are the key properties of 2-[[4-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline?
2-[[4-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline has a molecular weight of 413.53 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline is sourced from PubChem (CID 177177245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).