4-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H27N9O — CID 156546642

IUPAC4-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2CCC(n3cc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C27H27N9O/c1-33-16-22(13-30-33)20-9-25(27-21(10-28)12-32-36(27)17-20)23-14-31-35(18-23)24-5-7-34(8-6-24)15-19-3-4-26(37-2)29-11-19/h3-4,9,11-14,16-18,24H,5-8,15H2,1-2H3
InChIKeyBCUXQESVDZKMTM-UHFFFAOYSA-N
MW493.58 g/mol
LogP3.71
Rot. Bonds6

About 4-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 156546642) has the molecular formula C27H27N9O and a molecular weight of 493.58 g/mol. Its IUPAC name is 4-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID156546642
Molecular FormulaC27H27N9O
Molecular Weight493.58 g/mol
Exact Mass493.23
IUPAC Name4-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2CCC(n3cc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C27H27N9O/c1-33-16-22(13-30-33)20-9-25(27-21(10-28)12-32-36(27)17-20)23-14-31-35(18-23)24-5-7-34(8-6-24)15-19-3-4-26(37-2)29-11-19/h3-4,9,11-14,16-18,24H,5-8,15H2,1-2H3
InChIKeyBCUXQESVDZKMTM-UHFFFAOYSA-N
XLogP3.71
TPSA102.09 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 156546642) is 4-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2CCC(n3cc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cn1.
What is the InChIKey of 4-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is BCUXQESVDZKMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N9O/c1-33-16-22(13-30-33)20-9-25(27-21(10-28)12-32-36(27)17-20)23-14-31-35(18-23)24-5-7-34(8-6-24)15-19-3-4-26(37-2)29-11-19/h3-4,9,11-14,16-18,24H,5-8,15H2,1-2H3.
What are the key properties of 4-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 493.58 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 156546642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).