[3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl] N,N-dimethylcarbamate

C23H21N7O3 — CID 164737586

IUPAC[3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl] N,N-dimethylcarbamate
SMILESC#CC(=O)N1CCN(c2ccc(-c3cc(OC(=O)N(C)C)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C23H21N7O3/c1-4-21(31)29-9-7-28(8-10-29)20-6-5-16(13-25-20)19-11-18(33-23(32)27(2)3)15-30-22(19)17(12-24)14-26-30/h1,5-6,11,13-15H,7-10H2,2-3H3
InChIKeyIWYBFUBMCNYUCY-UHFFFAOYSA-N
MW443.47 g/mol
LogP1.61
Rot. Bonds3

About [3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl] N,N-dimethylcarbamate

[3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl] N,N-dimethylcarbamate (PubChem CID 164737586) has the molecular formula C23H21N7O3 and a molecular weight of 443.47 g/mol. Its IUPAC name is [3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl] N,N-dimethylcarbamate
PubChem CID164737586
Molecular FormulaC23H21N7O3
Molecular Weight443.47 g/mol
Exact Mass443.17
IUPAC Name[3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl] N,N-dimethylcarbamate
SMILESC#CC(=O)N1CCN(c2ccc(-c3cc(OC(=O)N(C)C)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C23H21N7O3/c1-4-21(31)29-9-7-28(8-10-29)20-6-5-16(13-25-20)19-11-18(33-23(32)27(2)3)15-30-22(19)17(12-24)14-26-30/h1,5-6,11,13-15H,7-10H2,2-3H3
InChIKeyIWYBFUBMCNYUCY-UHFFFAOYSA-N
XLogP1.61
TPSA107.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-(2-methylbutoxy)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164737653
6-methoxy-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146668471
6-ethoxy-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436826
4-[6-[4-[(2R)-2-(dimethylamino)-4-methylpentanoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436504
6-ethoxy-4-[6-[4-(3-ethynylbenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 152648631
6-ethoxy-4-[6-[4-(4-ethynyl-2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146626990
6-ethoxy-4-[6-[4-[3-(3-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667060
6-ethoxy-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435526
tert-butyl 4-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 134436929
6-ethoxy-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146668378
6-(2-hydroxy-2-methylpropoxy)-4-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436242
6-ethoxy-4-[6-(4-prop-2-ynylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146668359

Frequently Asked Questions

What is the IUPAC name of [3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl] N,N-dimethylcarbamate?
The IUPAC name of [3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl] N,N-dimethylcarbamate (CID 164737586) is [3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl] N,N-dimethylcarbamate?
The canonical SMILES for [3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl] N,N-dimethylcarbamate is C#CC(=O)N1CCN(c2ccc(-c3cc(OC(=O)N(C)C)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of [3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl] N,N-dimethylcarbamate?
The InChIKey is IWYBFUBMCNYUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O3/c1-4-21(31)29-9-7-28(8-10-29)20-6-5-16(13-25-20)19-11-18(33-23(32)27(2)3)15-30-22(19)17(12-24)14-26-30/h1,5-6,11,13-15H,7-10H2,2-3H3.
What are the key properties of [3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl] N,N-dimethylcarbamate?
[3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl] N,N-dimethylcarbamate has a molecular weight of 443.47 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyano-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 164737586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).