6-(1-methylpyrazol-4-yl)-4-[6-[4-(1-pyridin-2-ylcyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)

C34H29F6N9O5 — CID 126740354

IUPAC6-(1-methylpyrazol-4-yl)-4-[6-[4-(1-pyridin-2-ylcyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C5(c6ccccn6)CC5)CC4)nc3)c3c(C#N)cnn3c2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C30H27N9O.2C2HF3O2/c1-36-19-24(18-34-36)22-14-25(28-23(15-31)17-35-39(28)20-22)21-5-6-27(33-16-21)37-10-12-38(13-11-37)29(40)30(7-8-30)26-4-2-3-9-32-26;2*3-2(4,5)1(6)7/h2-6,9,14,16-20H,7-8,10-13H2,1H3;2*(H,6,7)
InChIKeyVINKVSLFIVNCEK-UHFFFAOYSA-N
MW757.65 g/mol
LogP4.71
Rot. Bonds5

About 6-(1-methylpyrazol-4-yl)-4-[6-[4-(1-pyridin-2-ylcyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)

6-(1-methylpyrazol-4-yl)-4-[6-[4-(1-pyridin-2-ylcyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) (PubChem CID 126740354) has the molecular formula C34H29F6N9O5 and a molecular weight of 757.65 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-[6-[4-(1-pyridin-2-ylcyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-4-[6-[4-(1-pyridin-2-ylcyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
PubChem CID126740354
Molecular FormulaC34H29F6N9O5
Molecular Weight757.65 g/mol
Exact Mass757.22
IUPAC Name6-(1-methylpyrazol-4-yl)-4-[6-[4-(1-pyridin-2-ylcyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C5(c6ccccn6)CC5)CC4)nc3)c3c(C#N)cnn3c2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C30H27N9O.2C2HF3O2/c1-36-19-24(18-34-36)22-14-25(28-23(15-31)17-35-39(28)20-22)21-5-6-27(33-16-21)37-10-12-38(13-11-37)29(40)30(7-8-30)26-4-2-3-9-32-26;2*3-2(4,5)1(6)7/h2-6,9,14,16-20H,7-8,10-13H2,1H3;2*(H,6,7)
InChIKeyVINKVSLFIVNCEK-UHFFFAOYSA-N
XLogP4.71
TPSA182.84 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.65
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-(1-methylpyrazol-4-yl)-4-[6-[4-(1-pyridin-2-ylcyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

CID 124199391
CID 124199391
CID 124199393
CID 124199393
CID 124199478
CID 124199478
CID 124199552
CID 124199552
CID 124199575
CID 124199575
CID 124199589
CID 124199589
CID 124199637
CID 124199637
CID 124199638
CID 124199638
CID 124199718
CID 124199718
CID 124199721
CID 124199721
CID 124199890
CID 124199890
CID 124199892
CID 124199892

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(1-pyridin-2-ylcyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(1-pyridin-2-ylcyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) (CID 126740354) is 6-(1-methylpyrazol-4-yl)-4-[6-[4-(1-pyridin-2-ylcyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-4-[6-[4-(1-pyridin-2-ylcyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-[6-[4-(1-pyridin-2-ylcyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) is Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C5(c6ccccn6)CC5)CC4)nc3)c3c(C#N)cnn3c2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(1-pyridin-2-ylcyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is VINKVSLFIVNCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N9O.2C2HF3O2/c1-36-19-24(18-34-36)22-14-25(28-23(15-31)17-35-39(28)20-22)21-5-6-27(33-16-21)37-10-12-38(13-11-37)29(40)30(7-8-30)26-4-2-3-9-32-26;2*3-2(4,5)1(6)7/h2-6,9,14,16-20H,7-8,10-13H2,1H3;2*(H,6,7).
What are the key properties of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(1-pyridin-2-ylcyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)?
6-(1-methylpyrazol-4-yl)-4-[6-[4-(1-pyridin-2-ylcyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 757.65 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-4-[6-[4-(1-pyridin-2-ylcyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 126740354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).