2-chloro-7-[1-[(1-piperidin-1-ylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,5-naphthyridine

C22H27ClN6 — CID 90288693

IUPAC2-chloro-7-[1-[(1-piperidin-1-ylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,5-naphthyridine
SMILESClc1ccc2ncc(-c3cnn(CC4CCN(N5CCCCC5)CC4)c3)cc2n1
InChIInChI=1S/C22H27ClN6/c23-22-5-4-20-21(26-22)12-18(13-24-20)19-14-25-27(16-19)15-17-6-10-29(11-7-17)28-8-2-1-3-9-28/h4-5,12-14,16-17H,1-3,6-11,15H2
InChIKeyMQDPTUFGOFLPNO-UHFFFAOYSA-N
MW410.95 g/mol
LogP4.26
Rot. Bonds4

About 2-chloro-7-[1-[(1-piperidin-1-ylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,5-naphthyridine

2-chloro-7-[1-[(1-piperidin-1-ylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 90288693) has the molecular formula C22H27ClN6 and a molecular weight of 410.95 g/mol. Its IUPAC name is 2-chloro-7-[1-[(1-piperidin-1-ylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-[1-[(1-piperidin-1-ylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,5-naphthyridine
PubChem CID90288693
Molecular FormulaC22H27ClN6
Molecular Weight410.95 g/mol
Exact Mass410.20
IUPAC Name2-chloro-7-[1-[(1-piperidin-1-ylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,5-naphthyridine
SMILESClc1ccc2ncc(-c3cnn(CC4CCN(N5CCCCC5)CC4)c3)cc2n1
InChIInChI=1S/C22H27ClN6/c23-22-5-4-20-21(26-22)12-18(13-24-20)19-14-25-27(16-19)15-17-6-10-29(11-7-17)28-8-2-1-3-9-28/h4-5,12-14,16-17H,1-3,6-11,15H2
InChIKeyMQDPTUFGOFLPNO-UHFFFAOYSA-N
XLogP4.26
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-1-morpholin-4-ylethanone
CID 90288987
2,6-dichloro-4-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine
CID 163201424
2-chloro-7-[1-[(6-methyl-3-pyridinyl)methyl]pyrazol-4-yl]-1,5-naphthyridine
CID 118504065
4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2-methoxypropyl]morpholine
CID 90289278
1-[7-[1-(azetidin-3-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-3-cyclopentylurea
CID 71249335
5-[1-(cyclobutylmethyl)pyrazol-4-yl]pyridin-2-amine
CID 166624876
2-chloro-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;5-phenylpyridazin-3-amine;N-(5-phenylpyridazin-3-yl)-7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine
CID 161106621
N-propan-2-yl-4-[[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]piperidine-1-carboxamide
CID 118504146
7-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 118510149
2-chloro-7-(1-pyridin-3-ylpyrazol-4-yl)-1,5-naphthyridine
CID 90288406
tert-butyl 4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 90288181
7-[1-(cyclobutylmethyl)pyrazol-4-yl]-2-[5-[3-(methoxymethyl)phenyl]-2H-pyrrol-4-yl]-1,5-naphthyridine
CID 157055426

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[1-[(1-piperidin-1-ylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-[1-[(1-piperidin-1-ylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,5-naphthyridine (CID 90288693) is 2-chloro-7-[1-[(1-piperidin-1-ylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-[1-[(1-piperidin-1-ylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-[1-[(1-piperidin-1-ylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,5-naphthyridine is Clc1ccc2ncc(-c3cnn(CC4CCN(N5CCCCC5)CC4)c3)cc2n1.
What is the InChIKey of 2-chloro-7-[1-[(1-piperidin-1-ylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is MQDPTUFGOFLPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN6/c23-22-5-4-20-21(26-22)12-18(13-24-20)19-14-25-27(16-19)15-17-6-10-29(11-7-17)28-8-2-1-3-9-28/h4-5,12-14,16-17H,1-3,6-11,15H2.
What are the key properties of 2-chloro-7-[1-[(1-piperidin-1-ylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,5-naphthyridine?
2-chloro-7-[1-[(1-piperidin-1-ylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 410.95 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[1-[(1-piperidin-1-ylpiperidin-4-yl)methyl]pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 90288693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).