1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3-methoxycyclobutyl)piperidine-4-carboxamide

C28H30N8O2 — CID 126740167

IUPAC1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3-methoxycyclobutyl)piperidine-4-carboxamide
SMILESCOC1CC(NC(=O)C2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)C1
InChIInChI=1S/C28H30N8O2/c1-34-16-22(15-31-34)20-9-25(27-21(12-29)14-32-36(27)17-20)19-3-4-26(30-13-19)35-7-5-18(6-8-35)28(37)33-23-10-24(11-23)38-2/h3-4,9,13-18,23-24H,5-8,10-11H2,1-2H3,(H,33,37)
InChIKeyPBSGQNZOYTVQTA-UHFFFAOYSA-N
MW510.60 g/mol
LogP3.18
Rot. Bonds6

About 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3-methoxycyclobutyl)piperidine-4-carboxamide

1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3-methoxycyclobutyl)piperidine-4-carboxamide (PubChem CID 126740167) has the molecular formula C28H30N8O2 and a molecular weight of 510.60 g/mol. Its IUPAC name is 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3-methoxycyclobutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3-methoxycyclobutyl)piperidine-4-carboxamide
PubChem CID126740167
Molecular FormulaC28H30N8O2
Molecular Weight510.60 g/mol
Exact Mass510.25
IUPAC Name1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3-methoxycyclobutyl)piperidine-4-carboxamide
SMILESCOC1CC(NC(=O)C2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)C1
InChIInChI=1S/C28H30N8O2/c1-34-16-22(15-31-34)20-9-25(27-21(12-29)14-32-36(27)17-20)19-3-4-26(30-13-19)35-7-5-18(6-8-35)28(37)33-23-10-24(11-23)38-2/h3-4,9,13-18,23-24H,5-8,10-11H2,1-2H3,(H,33,37)
InChIKeyPBSGQNZOYTVQTA-UHFFFAOYSA-N
XLogP3.18
TPSA113.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.60
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3-methoxycyclobutyl)piperidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3-methoxycyclobutyl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3-methoxycyclobutyl)piperidine-4-carboxamide (CID 126740167) is 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3-methoxycyclobutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3-methoxycyclobutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3-methoxycyclobutyl)piperidine-4-carboxamide is COC1CC(NC(=O)C2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)C1.
What is the InChIKey of 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3-methoxycyclobutyl)piperidine-4-carboxamide?
The InChIKey is PBSGQNZOYTVQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8O2/c1-34-16-22(15-31-34)20-9-25(27-21(12-29)14-32-36(27)17-20)19-3-4-26(30-13-19)35-7-5-18(6-8-35)28(37)33-23-10-24(11-23)38-2/h3-4,9,13-18,23-24H,5-8,10-11H2,1-2H3,(H,33,37).
What are the key properties of 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3-methoxycyclobutyl)piperidine-4-carboxamide?
1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3-methoxycyclobutyl)piperidine-4-carboxamide has a molecular weight of 510.60 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(3-methoxycyclobutyl)piperidine-4-carboxamide is sourced from PubChem (CID 126740167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).