4-chloro-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,8-naphthyridine

C16H16ClN5 — CID 167863990

IUPAC4-chloro-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,8-naphthyridine
SMILESClc1cc(N2CCCC(c3ccn[nH]3)C2)nc2ncccc12
InChIInChI=1S/C16H16ClN5/c17-13-9-15(20-16-12(13)4-1-6-18-16)22-8-2-3-11(10-22)14-5-7-19-21-14/h1,4-7,9,11H,2-3,8,10H2,(H,19,21)
InChIKeyUDRUBDJWCFCRGW-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.39
Rot. Bonds2

About 4-chloro-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,8-naphthyridine

4-chloro-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,8-naphthyridine (PubChem CID 167863990) has the molecular formula C16H16ClN5 and a molecular weight of 313.79 g/mol. Its IUPAC name is 4-chloro-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,8-naphthyridine.

Molecular Properties

Compound Name4-chloro-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,8-naphthyridine
PubChem CID167863990
Molecular FormulaC16H16ClN5
Molecular Weight313.79 g/mol
Exact Mass313.11
IUPAC Name4-chloro-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,8-naphthyridine
SMILESClc1cc(N2CCCC(c3ccn[nH]3)C2)nc2ncccc12
InChIInChI=1S/C16H16ClN5/c17-13-9-15(20-16-12(13)4-1-6-18-16)22-8-2-3-11(10-22)14-5-7-19-21-14/h1,4-7,9,11H,2-3,8,10H2,(H,19,21)
InChIKeyUDRUBDJWCFCRGW-UHFFFAOYSA-N
XLogP3.39
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 1307071
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CID 9901007
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CID 9945436
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,8-naphthyridine?
The IUPAC name of 4-chloro-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,8-naphthyridine (CID 167863990) is 4-chloro-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,8-naphthyridine.
What is the SMILES notation for 4-chloro-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,8-naphthyridine?
The canonical SMILES for 4-chloro-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,8-naphthyridine is Clc1cc(N2CCCC(c3ccn[nH]3)C2)nc2ncccc12.
What is the InChIKey of 4-chloro-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,8-naphthyridine?
The InChIKey is UDRUBDJWCFCRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5/c17-13-9-15(20-16-12(13)4-1-6-18-16)22-8-2-3-11(10-22)14-5-7-19-21-14/h1,4-7,9,11H,2-3,8,10H2,(H,19,21).
What are the key properties of 4-chloro-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,8-naphthyridine?
4-chloro-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,8-naphthyridine has a molecular weight of 313.79 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,8-naphthyridine is sourced from PubChem (CID 167863990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).