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

C27H23N9O — CID 126740356

IUPAC6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(C(=O)c5ccccn5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C27H23N9O/c1-33-17-22(16-31-33)20-12-23(26-21(13-28)15-32-36(26)18-20)19-5-6-25(30-14-19)34-8-10-35(11-9-34)27(37)24-4-2-3-7-29-24/h2-7,12,14-18H,8-11H2,1H3
InChIKeyYWUCAXJMMCKNFE-UHFFFAOYSA-N
MW489.54 g/mol
LogP3.03
Rot. Bonds4

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

6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740356) has the molecular formula C27H23N9O and a molecular weight of 489.54 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID126740356
Molecular FormulaC27H23N9O
Molecular Weight489.54 g/mol
Exact Mass489.20
IUPAC Name6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(C(=O)c5ccccn5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C27H23N9O/c1-33-17-22(16-31-33)20-12-23(26-21(13-28)15-32-36(26)18-20)19-5-6-25(30-14-19)34-8-10-35(11-9-34)27(37)24-4-2-3-7-29-24/h2-7,12,14-18H,8-11H2,1H3
InChIKeyYWUCAXJMMCKNFE-UHFFFAOYSA-N
XLogP3.03
TPSA108.24 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740356) is 6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)c5ccccn5)CC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is YWUCAXJMMCKNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N9O/c1-33-17-22(16-31-33)20-12-23(26-21(13-28)15-32-36(26)18-20)19-5-6-25(30-14-19)34-8-10-35(11-9-34)27(37)24-4-2-3-7-29-24/h2-7,12,14-18H,8-11H2,1H3.
What are the key properties of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 489.54 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-4-[6-[4-(pyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).