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

C30H29N9O2 — CID 134496799

IUPACN-[1-[5-[3-cyano-6-[(1-methylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
SMILESCn1ccnc1COc1cc(-c2ccc(N3CCC(C)(NC(=O)c4ccccn4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C30H29N9O2/c1-30(36-29(40)25-5-3-4-10-32-25)8-12-38(13-9-30)26-7-6-21(17-34-26)24-15-23(41-20-27-33-11-14-37(27)2)19-39-28(24)22(16-31)18-35-39/h3-7,10-11,14-15,17-19H,8-9,12-13,20H2,1-2H3,(H,36,40)
InChIKeyIHOWYKTYRDFGCC-UHFFFAOYSA-N
MW547.62 g/mol
LogP3.76
Rot. Bonds7

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

N-[1-[5-[3-cyano-6-[(1-methylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide (PubChem CID 134496799) has the molecular formula C30H29N9O2 and a molecular weight of 547.62 g/mol. Its IUPAC name is N-[1-[5-[3-cyano-6-[(1-methylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[5-[3-cyano-6-[(1-methylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
PubChem CID134496799
Molecular FormulaC30H29N9O2
Molecular Weight547.62 g/mol
Exact Mass547.24
IUPAC NameN-[1-[5-[3-cyano-6-[(1-methylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
SMILESCn1ccnc1COc1cc(-c2ccc(N3CCC(C)(NC(=O)c4ccccn4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C30H29N9O2/c1-30(36-29(40)25-5-3-4-10-32-25)8-12-38(13-9-30)26-7-6-21(17-34-26)24-15-23(41-20-27-33-11-14-37(27)2)19-39-28(24)22(16-31)18-35-39/h3-7,10-11,14-15,17-19H,8-9,12-13,20H2,1-2H3,(H,36,40)
InChIKeyIHOWYKTYRDFGCC-UHFFFAOYSA-N
XLogP3.76
TPSA126.26 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.62
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[1-[5-[3-cyano-6-[(1-methylimidazol-2-yl)methoxy]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 N-[1-[5-[3-cyano-6-[(1-methylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[5-[3-cyano-6-[(1-methylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide (CID 134496799) is N-[1-[5-[3-cyano-6-[(1-methylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[5-[3-cyano-6-[(1-methylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[5-[3-cyano-6-[(1-methylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide is Cn1ccnc1COc1cc(-c2ccc(N3CCC(C)(NC(=O)c4ccccn4)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of N-[1-[5-[3-cyano-6-[(1-methylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is IHOWYKTYRDFGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N9O2/c1-30(36-29(40)25-5-3-4-10-32-25)8-12-38(13-9-30)26-7-6-21(17-34-26)24-15-23(41-20-27-33-11-14-37(27)2)19-39-28(24)22(16-31)18-35-39/h3-7,10-11,14-15,17-19H,8-9,12-13,20H2,1-2H3,(H,36,40).
What are the key properties of N-[1-[5-[3-cyano-6-[(1-methylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?
N-[1-[5-[3-cyano-6-[(1-methylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 547.62 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[3-cyano-6-[(1-methylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134496799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).