2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline

C21H18ClN5 — CID 57415014

IUPAC2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline
SMILESCc1ccc(Cl)c2cc(CCc3nc4c5cccnc5ccc4n3C)nn12
InChIInChI=1S/C21H18ClN5/c1-13-5-7-16(22)19-12-14(25-27(13)19)6-10-20-24-21-15-4-3-11-23-17(15)8-9-18(21)26(20)2/h3-5,7-9,11-12H,6,10H2,1-2H3
InChIKeyHRPJFQDSKHOATL-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.52
Rot. Bonds3

About 2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline

2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline (PubChem CID 57415014) has the molecular formula C21H18ClN5 and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline.

Molecular Properties

Compound Name2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline
PubChem CID57415014
Molecular FormulaC21H18ClN5
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline
SMILESCc1ccc(Cl)c2cc(CCc3nc4c5cccnc5ccc4n3C)nn12
InChIInChI=1S/C21H18ClN5/c1-13-5-7-16(22)19-12-14(25-27(13)19)6-10-20-24-21-15-4-3-11-23-17(15)8-9-18(21)26(20)2/h3-5,7-9,11-12H,6,10H2,1-2H3
InChIKeyHRPJFQDSKHOATL-UHFFFAOYSA-N
XLogP4.52
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline?
The IUPAC name of 2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline (CID 57415014) is 2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline.
What is the SMILES notation for 2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline?
The canonical SMILES for 2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline is Cc1ccc(Cl)c2cc(CCc3nc4c5cccnc5ccc4n3C)nn12.
What is the InChIKey of 2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline?
The InChIKey is HRPJFQDSKHOATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5/c1-13-5-7-16(22)19-12-14(25-27(13)19)6-10-20-24-21-15-4-3-11-23-17(15)8-9-18(21)26(20)2/h3-5,7-9,11-12H,6,10H2,1-2H3.
What are the key properties of 2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline?
2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline has a molecular weight of 375.86 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline is sourced from PubChem (CID 57415014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).