[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone

C19H22N6O — CID 70722437

IUPAC[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
SMILESCn1cccc1-c1cc(C(=O)N2CCC(Nc3ccccn3)CC2)[nH]n1
InChIInChI=1S/C19H22N6O/c1-24-10-4-5-17(24)15-13-16(23-22-15)19(26)25-11-7-14(8-12-25)21-18-6-2-3-9-20-18/h2-6,9-10,13-14H,7-8,11-12H2,1H3,(H,20,21)(H,22,23)
InChIKeyXBVKYPNLQOAJBB-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.53
Rot. Bonds4

About [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone

[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone (PubChem CID 70722437) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
PubChem CID70722437
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
SMILESCn1cccc1-c1cc(C(=O)N2CCC(Nc3ccccn3)CC2)[nH]n1
InChIInChI=1S/C19H22N6O/c1-24-10-4-5-17(24)15-13-16(23-22-15)19(26)25-11-7-14(8-12-25)21-18-6-2-3-9-20-18/h2-6,9-10,13-14H,7-8,11-12H2,1H3,(H,20,21)(H,22,23)
InChIKeyXBVKYPNLQOAJBB-UHFFFAOYSA-N
XLogP2.53
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone
CID 70848735
[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone
CID 70719021
[3-(3,4-dimethylanilino)piperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone
CID 45231480
[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone
CID 97129509
(1-methylimidazol-2-yl)-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]piperidin-3-yl]methanone
CID 70723597
4-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]morpholine-2-carboxylic acid
CID 56908982
(2S)-4-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]morpholine-2-carboxylic acid
CID 95892043
ethane;3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylic acid
CID 143757787
(3-phenyl-1H-pyrazol-5-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone
CID 71798583
N-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 163295106
(3aS,6aS)-N,N-dimethyl-5-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxamide
CID 70776907
N-(1-methylpiperidin-4-yl)pyridin-2-amine;dihydrochloride
CID 174544706

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone?
The IUPAC name of [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone (CID 70722437) is [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone?
The canonical SMILES for [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone is Cn1cccc1-c1cc(C(=O)N2CCC(Nc3ccccn3)CC2)[nH]n1.
What is the InChIKey of [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone?
The InChIKey is XBVKYPNLQOAJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-24-10-4-5-17(24)15-13-16(23-22-15)19(26)25-11-7-14(8-12-25)21-18-6-2-3-9-20-18/h2-6,9-10,13-14H,7-8,11-12H2,1H3,(H,20,21)(H,22,23).
What are the key properties of [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone?
[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone has a molecular weight of 350.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 70722437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).