3-chloro-N-[1-[5-[3-cyano-6-[2-(2,2-difluoroethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide

C29H29ClF2N8O2 — CID 134435063

IUPAC3-chloro-N-[1-[5-[3-cyano-6-[2-(2,2-difluoroethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
SMILESCC1(NC(=O)c2ncccc2Cl)CCN(c2ccc(-c3cc(OCCNCC(F)F)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C29H29ClF2N8O2/c1-29(38-28(41)26-23(30)3-2-8-35-26)6-10-39(11-7-29)25-5-4-19(15-36-25)22-13-21(42-12-9-34-17-24(31)32)18-40-27(22)20(14-33)16-37-40/h2-5,8,13,15-16,18,24,34H,6-7,9-12,17H2,1H3,(H,38,41)
InChIKeyVICULTDUDFZZRR-UHFFFAOYSA-N
MW595.05 g/mol
LogP4.34
Rot. Bonds10

About 3-chloro-N-[1-[5-[3-cyano-6-[2-(2,2-difluoroethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide

3-chloro-N-[1-[5-[3-cyano-6-[2-(2,2-difluoroethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide (PubChem CID 134435063) has the molecular formula C29H29ClF2N8O2 and a molecular weight of 595.05 g/mol. Its IUPAC name is 3-chloro-N-[1-[5-[3-cyano-6-[2-(2,2-difluoroethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-[5-[3-cyano-6-[2-(2,2-difluoroethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
PubChem CID134435063
Molecular FormulaC29H29ClF2N8O2
Molecular Weight595.05 g/mol
Exact Mass594.21
IUPAC Name3-chloro-N-[1-[5-[3-cyano-6-[2-(2,2-difluoroethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
SMILESCC1(NC(=O)c2ncccc2Cl)CCN(c2ccc(-c3cc(OCCNCC(F)F)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C29H29ClF2N8O2/c1-29(38-28(41)26-23(30)3-2-8-35-26)6-10-39(11-7-29)25-5-4-19(15-36-25)22-13-21(42-12-9-34-17-24(31)32)18-40-27(22)20(14-33)16-37-40/h2-5,8,13,15-16,18,24,34H,6-7,9-12,17H2,1H3,(H,38,41)
InChIKeyVICULTDUDFZZRR-UHFFFAOYSA-N
XLogP4.34
TPSA120.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.05
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-chloro-N-[1-[5-[3-cyano-6-[2-(2,2-difluoroethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[5-[3-cyano-6-[2-(2,2-difluoroethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[1-[5-[3-cyano-6-[2-(2,2-difluoroethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide (CID 134435063) is 3-chloro-N-[1-[5-[3-cyano-6-[2-(2,2-difluoroethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-[5-[3-cyano-6-[2-(2,2-difluoroethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[1-[5-[3-cyano-6-[2-(2,2-difluoroethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide is CC1(NC(=O)c2ncccc2Cl)CCN(c2ccc(-c3cc(OCCNCC(F)F)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of 3-chloro-N-[1-[5-[3-cyano-6-[2-(2,2-difluoroethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is VICULTDUDFZZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClF2N8O2/c1-29(38-28(41)26-23(30)3-2-8-35-26)6-10-39(11-7-29)25-5-4-19(15-36-25)22-13-21(42-12-9-34-17-24(31)32)18-40-27(22)20(14-33)16-37-40/h2-5,8,13,15-16,18,24,34H,6-7,9-12,17H2,1H3,(H,38,41).
What are the key properties of 3-chloro-N-[1-[5-[3-cyano-6-[2-(2,2-difluoroethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?
3-chloro-N-[1-[5-[3-cyano-6-[2-(2,2-difluoroethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 595.05 g/mol, XLogP of 4.34, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[5-[3-cyano-6-[2-(2,2-difluoroethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134435063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).