2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine

C19H22ClN5 — CID 90288353

IUPAC2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESCc1nn(CCCN2CCCC2)cc1-c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C19H22ClN5/c1-14-16(13-25(23-14)10-4-9-24-7-2-3-8-24)15-11-18-17(21-12-15)5-6-19(20)22-18/h5-6,11-13H,2-4,7-10H2,1H3
InChIKeyVNFKZUKSOHDOER-UHFFFAOYSA-N
MW355.87 g/mol
LogP3.94
Rot. Bonds5

About 2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine

2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 90288353) has the molecular formula C19H22ClN5 and a molecular weight of 355.87 g/mol. Its IUPAC name is 2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine
PubChem CID90288353
Molecular FormulaC19H22ClN5
Molecular Weight355.87 g/mol
Exact Mass355.16
IUPAC Name2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESCc1nn(CCCN2CCCC2)cc1-c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C19H22ClN5/c1-14-16(13-25(23-14)10-4-9-24-7-2-3-8-24)15-11-18-17(21-12-15)5-6-19(20)22-18/h5-6,11-13H,2-4,7-10H2,1H3
InChIKeyVNFKZUKSOHDOER-UHFFFAOYSA-N
XLogP3.94
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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CID 9888194
RepSox
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Fauc 113
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Dihydropyrrolopyrazole, 7d
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CID 9858407
6H-1,3,6,8a-Tetraazaacenaphthylene, 6-(1-butylpentyl)-2-(2,4-dichlorophenyl)-7,8-dihydro-4-methyl-
CID 9933199
4-(1-Benzyl-3-pyridin-2-yl-1H-pyrazol-4-yl)-quinoline
CID 10361281
7-chloro-4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
CID 21992575
4-[2-(6-Methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-quinoline
CID 21992678
4-(2-(6-ethylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
CID 21992913
4-(2-(Pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
CID 23546124
7-Chloro-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-quinoline
CID 44346052

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine (CID 90288353) is 2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine is Cc1nn(CCCN2CCCC2)cc1-c1cnc2ccc(Cl)nc2c1.
What is the InChIKey of 2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is VNFKZUKSOHDOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5/c1-14-16(13-25(23-14)10-4-9-24-7-2-3-8-24)15-11-18-17(21-12-15)5-6-19(20)22-18/h5-6,11-13H,2-4,7-10H2,1H3.
What are the key properties of 2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine?
2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 355.87 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 90288353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).