[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone

C22H25N5O — CID 163348563

IUPAC[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)nn1C
InChIInChI=1S/C22H25N5O/c1-14-11-20(25-26(14)2)22(28)27-9-7-16(8-10-27)19-6-5-17-12-18(15-3-4-15)13-23-21(17)24-19/h5-6,11-13,15-16H,3-4,7-10H2,1-2H3
InChIKeyZFBUTAYMHDEUCK-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.57
Rot. Bonds3

About [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone

[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone (PubChem CID 163348563) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
PubChem CID163348563
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)nn1C
InChIInChI=1S/C22H25N5O/c1-14-11-20(25-26(14)2)22(28)27-9-7-16(8-10-27)19-6-5-17-12-18(15-3-4-15)13-23-21(17)24-19/h5-6,11-13,15-16H,3-4,7-10H2,1-2H3
InChIKeyZFBUTAYMHDEUCK-UHFFFAOYSA-N
XLogP3.57
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 163344514
[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 163348869
4-(6-cyclopropyl-1,8-naphthyridin-2-yl)-N-ethylpiperidine-1-carboxamide
CID 163348230
[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 163348592
[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 155974863
3-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
CID 163348733
1-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 163345225
1-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 163344763
2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 163349786
4-(6-cyclopropyl-1,8-naphthyridin-2-yl)-N-prop-2-enylpiperidine-1-carboxamide
CID 163348357
[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 163344454
(2-methylpyrazol-3-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155975284

Frequently Asked Questions

What is the IUPAC name of [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone (CID 163348563) is [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)nn1C.
What is the InChIKey of [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is ZFBUTAYMHDEUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-14-11-20(25-26(14)2)22(28)27-9-7-16(8-10-27)19-6-5-17-12-18(15-3-4-15)13-23-21(17)24-19/h5-6,11-13,15-16H,3-4,7-10H2,1-2H3.
What are the key properties of [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone?
[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 375.48 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 163348563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).