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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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).