[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone

C20H21N5O — CID 163348869

IUPAC[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1
InChIInChI=1S/C20H21N5O/c26-20(17-11-22-23-12-17)25-7-5-14(6-8-25)18-4-3-15-9-16(13-1-2-13)10-21-19(15)24-18/h3-4,9-14H,1-2,5-8H2,(H,22,23)
InChIKeyVTYQMQKXDRMEGW-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.25
Rot. Bonds3

About [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone

[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 163348869) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID163348869
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1
InChIInChI=1S/C20H21N5O/c26-20(17-11-22-23-12-17)25-7-5-14(6-8-25)18-4-3-15-9-16(13-1-2-13)10-21-19(15)24-18/h3-4,9-14H,1-2,5-8H2,(H,22,23)
InChIKeyVTYQMQKXDRMEGW-UHFFFAOYSA-N
XLogP3.25
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 163348592
[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 163348563
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]-(4-methylpiperazin-1-yl)methanone
CID 163344514
1-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 163345225
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
[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
CID 163344506
1-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 163344763
(4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 63390634
3-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
CID 163348733

Frequently Asked Questions

What is the IUPAC name of [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone (CID 163348869) is [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1.
What is the InChIKey of [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is VTYQMQKXDRMEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20(17-11-22-23-12-17)25-7-5-14(6-8-25)18-4-3-15-9-16(13-1-2-13)10-21-19(15)24-18/h3-4,9-14H,1-2,5-8H2,(H,22,23).
What are the key properties of [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone?
[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 347.42 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 163348869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).