6-[1-[6-[1-(1-benzylpyrrolidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline

C32H29N7 — CID 25145518

IUPAC6-[1-[6-[1-(1-benzylpyrrolidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline
SMILESc1ccc(CN2CCC(n3cc(-c4cnc5ncc(C6(c7ccc8ncccc8c7)CC6)n5c4)cn3)C2)cc1
InChIInChI=1S/C32H29N7/c1-2-5-23(6-3-1)19-37-14-10-28(22-37)39-21-26(17-36-39)25-16-34-31-35-18-30(38(31)20-25)32(11-12-32)27-8-9-29-24(15-27)7-4-13-33-29/h1-9,13,15-18,20-21,28H,10-12,14,19,22H2
InChIKeyWOSZORUAYNYGNJ-UHFFFAOYSA-N
MW511.63 g/mol
LogP5.67
Rot. Bonds6

About 6-[1-[6-[1-(1-benzylpyrrolidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline

6-[1-[6-[1-(1-benzylpyrrolidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline (PubChem CID 25145518) has the molecular formula C32H29N7 and a molecular weight of 511.63 g/mol. Its IUPAC name is 6-[1-[6-[1-(1-benzylpyrrolidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline.

Molecular Properties

Compound Name6-[1-[6-[1-(1-benzylpyrrolidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline
PubChem CID25145518
Molecular FormulaC32H29N7
Molecular Weight511.63 g/mol
Exact Mass511.25
IUPAC Name6-[1-[6-[1-(1-benzylpyrrolidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline
SMILESc1ccc(CN2CCC(n3cc(-c4cnc5ncc(C6(c7ccc8ncccc8c7)CC6)n5c4)cn3)C2)cc1
InChIInChI=1S/C32H29N7/c1-2-5-23(6-3-1)19-37-14-10-28(22-37)39-21-26(17-36-39)25-16-34-31-35-18-30(38(31)20-25)32(11-12-32)27-8-9-29-24(15-27)7-4-13-33-29/h1-9,13,15-18,20-21,28H,10-12,14,19,22H2
InChIKeyWOSZORUAYNYGNJ-UHFFFAOYSA-N
XLogP5.67
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.63
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[1-[6-[1-(1-benzylpyrrolidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline with MolForge

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Related Compounds

PF-04254644
CID 24871823
Bag-956
CID 24882589
6-[Difluoro-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 127045762
6-((6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl)methyl)quinoline
CID 44206063
4-[6-[4-(4-Methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 60182364
(R)-2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11538251
(R)-2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11581252
(R)-2-(5-methyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11603648
(R)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11710453
6-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 24851730
6-[Difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 57338725
3-(6-Quinolylmethyl)-6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57405871

Frequently Asked Questions

What is the IUPAC name of 6-[1-[6-[1-(1-benzylpyrrolidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline?
The IUPAC name of 6-[1-[6-[1-(1-benzylpyrrolidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline (CID 25145518) is 6-[1-[6-[1-(1-benzylpyrrolidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline.
What is the SMILES notation for 6-[1-[6-[1-(1-benzylpyrrolidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline?
The canonical SMILES for 6-[1-[6-[1-(1-benzylpyrrolidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline is c1ccc(CN2CCC(n3cc(-c4cnc5ncc(C6(c7ccc8ncccc8c7)CC6)n5c4)cn3)C2)cc1.
What is the InChIKey of 6-[1-[6-[1-(1-benzylpyrrolidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline?
The InChIKey is WOSZORUAYNYGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N7/c1-2-5-23(6-3-1)19-37-14-10-28(22-37)39-21-26(17-36-39)25-16-34-31-35-18-30(38(31)20-25)32(11-12-32)27-8-9-29-24(15-27)7-4-13-33-29/h1-9,13,15-18,20-21,28H,10-12,14,19,22H2.
What are the key properties of 6-[1-[6-[1-(1-benzylpyrrolidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline?
6-[1-[6-[1-(1-benzylpyrrolidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline has a molecular weight of 511.63 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[6-[1-(1-benzylpyrrolidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline is sourced from PubChem (CID 25145518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).