4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C30H24FN9O2 — CID 146661232

IUPAC4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1cc(C#CC(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cc(F)n1
InChIInChI=1S/C30H24FN9O2/c1-37-18-24(17-34-37)22-13-25(30-23(14-32)16-35-40(30)19-22)21-4-5-27(33-15-21)38-7-9-39(10-8-38)29(41)6-3-20-11-26(31)36-28(12-20)42-2/h4-5,11-13,15-19H,7-10H2,1-2H3
InChIKeyLKMCSBGBKUDGII-UHFFFAOYSA-N
MW561.58 g/mol
LogP2.91
Rot. Bonds4

About 4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146661232) has the molecular formula C30H24FN9O2 and a molecular weight of 561.58 g/mol. Its IUPAC name is 4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID146661232
Molecular FormulaC30H24FN9O2
Molecular Weight561.58 g/mol
Exact Mass561.20
IUPAC Name4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1cc(C#CC(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cc(F)n1
InChIInChI=1S/C30H24FN9O2/c1-37-18-24(17-34-37)22-13-25(30-23(14-32)16-35-40(30)19-22)21-4-5-27(33-15-21)38-7-9-39(10-8-38)29(41)6-3-20-11-26(31)36-28(12-20)42-2/h4-5,11-13,15-19H,7-10H2,1-2H3
InChIKeyLKMCSBGBKUDGII-UHFFFAOYSA-N
XLogP2.91
TPSA117.47 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.58
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146661232) is 4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1cc(C#CC(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cc(F)n1.
What is the InChIKey of 4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is LKMCSBGBKUDGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN9O2/c1-37-18-24(17-34-37)22-13-25(30-23(14-32)16-35-40(30)19-22)21-4-5-27(33-15-21)38-7-9-39(10-8-38)29(41)6-3-20-11-26(31)36-28(12-20)42-2/h4-5,11-13,15-19H,7-10H2,1-2H3.
What are the key properties of 4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 561.58 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[3-(2-fluoro-6-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146661232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).