[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-[4-(1H-pyrazol-4-yl)phenyl]methanone

C20H21N5O — CID 162705912

IUPAC[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-[4-(1H-pyrazol-4-yl)phenyl]methanone
SMILESNC1CCN(c2cc(C(=O)c3ccc(-c4cn[nH]c4)cc3)ccn2)CC1
InChIInChI=1S/C20H21N5O/c21-18-6-9-25(10-7-18)19-11-16(5-8-22-19)20(26)15-3-1-14(2-4-15)17-12-23-24-13-17/h1-5,8,11-13,18H,6-7,9-10,21H2,(H,23,24)
InChIKeyZZCOGPSDZIPRJG-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.63
Rot. Bonds4

About [2-(4-aminopiperidin-1-yl)-4-pyridinyl]-[4-(1H-pyrazol-4-yl)phenyl]methanone

[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-[4-(1H-pyrazol-4-yl)phenyl]methanone (PubChem CID 162705912) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is [2-(4-aminopiperidin-1-yl)-4-pyridinyl]-[4-(1H-pyrazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-[4-(1H-pyrazol-4-yl)phenyl]methanone
PubChem CID162705912
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-[4-(1H-pyrazol-4-yl)phenyl]methanone
SMILESNC1CCN(c2cc(C(=O)c3ccc(-c4cn[nH]c4)cc3)ccn2)CC1
InChIInChI=1S/C20H21N5O/c21-18-6-9-25(10-7-18)19-11-16(5-8-22-19)20(26)15-3-1-14(2-4-15)17-12-23-24-13-17/h1-5,8,11-13,18H,6-7,9-10,21H2,(H,23,24)
InChIKeyZZCOGPSDZIPRJG-UHFFFAOYSA-N
XLogP2.63
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 121494580
1-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxylic acid
CID 69133100
2-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 43133367
N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119478490
2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-4-(1H-pyrazol-4-yl)aniline
CID 123496232
1-[6-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridazin-3-yl]piperidin-4-amine
CID 163821520
2-[4-(deuteriomethyl)piperazin-1-yl]-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 175806566
4-(1H-pyrazol-4-yl)pyridine-2-carboxylic acid
CID 82404796
2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide
CID 72916320
[(3aR,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl]-[4-(1H-pyrazol-4-yl)phenyl]methanone
CID 166278548
(4-aminopiperidin-1-yl)-[2-[8-methyl-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]methanone
CID 86302157
6-(4-aminopiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61402767

Frequently Asked Questions

What is the IUPAC name of [2-(4-aminopiperidin-1-yl)-4-pyridinyl]-[4-(1H-pyrazol-4-yl)phenyl]methanone?
The IUPAC name of [2-(4-aminopiperidin-1-yl)-4-pyridinyl]-[4-(1H-pyrazol-4-yl)phenyl]methanone (CID 162705912) is [2-(4-aminopiperidin-1-yl)-4-pyridinyl]-[4-(1H-pyrazol-4-yl)phenyl]methanone.
What is the SMILES notation for [2-(4-aminopiperidin-1-yl)-4-pyridinyl]-[4-(1H-pyrazol-4-yl)phenyl]methanone?
The canonical SMILES for [2-(4-aminopiperidin-1-yl)-4-pyridinyl]-[4-(1H-pyrazol-4-yl)phenyl]methanone is NC1CCN(c2cc(C(=O)c3ccc(-c4cn[nH]c4)cc3)ccn2)CC1.
What is the InChIKey of [2-(4-aminopiperidin-1-yl)-4-pyridinyl]-[4-(1H-pyrazol-4-yl)phenyl]methanone?
The InChIKey is ZZCOGPSDZIPRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c21-18-6-9-25(10-7-18)19-11-16(5-8-22-19)20(26)15-3-1-14(2-4-15)17-12-23-24-13-17/h1-5,8,11-13,18H,6-7,9-10,21H2,(H,23,24).
What are the key properties of [2-(4-aminopiperidin-1-yl)-4-pyridinyl]-[4-(1H-pyrazol-4-yl)phenyl]methanone?
[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-[4-(1H-pyrazol-4-yl)phenyl]methanone has a molecular weight of 347.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-aminopiperidin-1-yl)-4-pyridinyl]-[4-(1H-pyrazol-4-yl)phenyl]methanone is sourced from PubChem (CID 162705912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).