1-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-3-prop-2-ynylurea

C25H27N7O2 — CID 146667825

IUPAC1-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-3-prop-2-ynylurea
SMILESC#CCNC(=O)NC1(C)CCN(c2ccc(-c3cc(OCC)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C25H27N7O2/c1-4-10-27-24(33)30-25(3)8-11-31(12-9-25)22-7-6-18(15-28-22)21-13-20(34-5-2)17-32-23(21)19(14-26)16-29-32/h1,6-7,13,15-17H,5,8-12H2,2-3H3,(H2,27,30,33)
InChIKeyQZJILQPRNUSKOS-UHFFFAOYSA-N
MW457.54 g/mol
LogP2.96
Rot. Bonds6

About 1-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-3-prop-2-ynylurea

1-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-3-prop-2-ynylurea (PubChem CID 146667825) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is 1-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-3-prop-2-ynylurea.

Molecular Properties

Compound Name1-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-3-prop-2-ynylurea
PubChem CID146667825
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC Name1-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-3-prop-2-ynylurea
SMILESC#CCNC(=O)NC1(C)CCN(c2ccc(-c3cc(OCC)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C25H27N7O2/c1-4-10-27-24(33)30-25(3)8-11-31(12-9-25)22-7-6-18(15-28-22)21-13-20(34-5-2)17-32-23(21)19(14-26)16-29-32/h1,6-7,13,15-17H,5,8-12H2,2-3H3,(H2,27,30,33)
InChIKeyQZJILQPRNUSKOS-UHFFFAOYSA-N
XLogP2.96
TPSA107.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-3-prop-2-ynylurea with MolForge

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Related Compounds

ethyl N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
CID 134436093
(2S)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]azetidine-2-carboxamide;sulfane
CID 167661379
1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134436096
N-[1-[5-(3-cyano-6-propoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide
CID 165374205
4-[6-[4-[(3S)-3,4-dimethylpentanoyl]-4-methylpiperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 153041225
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-4-ethynylbenzamide
CID 146667149
6-ethoxy-4-[6-[4-[hydroxy-(2-methylpropylamino)methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146322505
6-ethoxy-4-[6-(4-prop-2-ynylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146668359
6-ethoxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 134497183
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2,6-dimethylpyridine-4-carboxamide
CID 134496877
6-ethoxy-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436826

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-3-prop-2-ynylurea?
The IUPAC name of 1-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-3-prop-2-ynylurea (CID 146667825) is 1-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-3-prop-2-ynylurea.
What is the SMILES notation for 1-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-3-prop-2-ynylurea?
The canonical SMILES for 1-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-3-prop-2-ynylurea is C#CCNC(=O)NC1(C)CCN(c2ccc(-c3cc(OCC)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of 1-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-3-prop-2-ynylurea?
The InChIKey is QZJILQPRNUSKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-4-10-27-24(33)30-25(3)8-11-31(12-9-25)22-7-6-18(15-28-22)21-13-20(34-5-2)17-32-23(21)19(14-26)16-29-32/h1,6-7,13,15-17H,5,8-12H2,2-3H3,(H2,27,30,33).
What are the key properties of 1-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-3-prop-2-ynylurea?
1-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-3-prop-2-ynylurea has a molecular weight of 457.54 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-3-prop-2-ynylurea is sourced from PubChem (CID 146667825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).