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

C21H26ClN5 — CID 90288465

IUPAC2-chloro-7-[3-propyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESCCCc1nn(CCCN2CCCC2)cc1-c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C21H26ClN5/c1-2-6-18-17(15-27(25-18)12-5-11-26-9-3-4-10-26)16-13-20-19(23-14-16)7-8-21(22)24-20/h7-8,13-15H,2-6,9-12H2,1H3
InChIKeyNDOAESBSSMRUQE-UHFFFAOYSA-N
MW383.93 g/mol
LogP4.59
Rot. Bonds7

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

2-chloro-7-[3-propyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 90288465) has the molecular formula C21H26ClN5 and a molecular weight of 383.93 g/mol. Its IUPAC name is 2-chloro-7-[3-propyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-[3-propyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine
PubChem CID90288465
Molecular FormulaC21H26ClN5
Molecular Weight383.93 g/mol
Exact Mass383.19
IUPAC Name2-chloro-7-[3-propyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESCCCc1nn(CCCN2CCCC2)cc1-c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C21H26ClN5/c1-2-6-18-17(15-27(25-18)12-5-11-26-9-3-4-10-26)16-13-20-19(23-14-16)7-8-21(22)24-20/h7-8,13-15H,2-6,9-12H2,1H3
InChIKeyNDOAESBSSMRUQE-UHFFFAOYSA-N
XLogP4.59
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.93
LogP ≤ 54.59
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[3-propyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-[3-propyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine (CID 90288465) is 2-chloro-7-[3-propyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-[3-propyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-[3-propyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine is CCCc1nn(CCCN2CCCC2)cc1-c1cnc2ccc(Cl)nc2c1.
What is the InChIKey of 2-chloro-7-[3-propyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is NDOAESBSSMRUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5/c1-2-6-18-17(15-27(25-18)12-5-11-26-9-3-4-10-26)16-13-20-19(23-14-16)7-8-21(22)24-20/h7-8,13-15H,2-6,9-12H2,1H3.
What are the key properties of 2-chloro-7-[3-propyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine?
2-chloro-7-[3-propyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 383.93 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[3-propyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 90288465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).