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

C31H33ClN8O3 — CID 134435581

IUPAC3-chloro-N-[1-[5-[3-cyano-6-[[(2R)-4-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
SMILESCN1CCO[C@@H](COc2cc(-c3ccc(N4CCC(C)(NC(=O)c5ncccc5Cl)CC4)nc3)c3c(C#N)cnn3c2)C1
InChIInChI=1S/C31H33ClN8O3/c1-31(37-30(41)28-26(32)4-3-9-34-28)7-10-39(11-8-31)27-6-5-21(16-35-27)25-14-23(19-40-29(25)22(15-33)17-36-40)43-20-24-18-38(2)12-13-42-24/h3-6,9,14,16-17,19,24H,7-8,10-13,18,20H2,1-2H3,(H,37,41)/t24-/m1/s1
InChIKeyKXPJVOALQYUCLC-XMMPIXPASA-N
MW601.11 g/mol
LogP3.81
Rot. Bonds7

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

3-chloro-N-[1-[5-[3-cyano-6-[[(2R)-4-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide (PubChem CID 134435581) has the molecular formula C31H33ClN8O3 and a molecular weight of 601.11 g/mol. Its IUPAC name is 3-chloro-N-[1-[5-[3-cyano-6-[[(2R)-4-methylmorpholin-2-yl]methoxy]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-[[(2R)-4-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
PubChem CID134435581
Molecular FormulaC31H33ClN8O3
Molecular Weight601.11 g/mol
Exact Mass600.24
IUPAC Name3-chloro-N-[1-[5-[3-cyano-6-[[(2R)-4-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
SMILESCN1CCO[C@@H](COc2cc(-c3ccc(N4CCC(C)(NC(=O)c5ncccc5Cl)CC4)nc3)c3c(C#N)cnn3c2)C1
InChIInChI=1S/C31H33ClN8O3/c1-31(37-30(41)28-26(32)4-3-9-34-28)7-10-39(11-8-31)27-6-5-21(16-35-27)25-14-23(19-40-29(25)22(15-33)17-36-40)43-20-24-18-38(2)12-13-42-24/h3-6,9,14,16-17,19,24H,7-8,10-13,18,20H2,1-2H3,(H,37,41)/t24-/m1/s1
InChIKeyKXPJVOALQYUCLC-XMMPIXPASA-N
XLogP3.81
TPSA120.91 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.11
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-chloro-N-[1-[5-[3-cyano-6-[[(2R)-4-methylmorpholin-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 3-chloro-N-[1-[5-[3-cyano-6-[[(2R)-4-methylmorpholin-2-yl]methoxy]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-[[(2R)-4-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide (CID 134435581) is 3-chloro-N-[1-[5-[3-cyano-6-[[(2R)-4-methylmorpholin-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 3-chloro-N-[1-[5-[3-cyano-6-[[(2R)-4-methylmorpholin-2-yl]methoxy]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-[[(2R)-4-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide is CN1CCO[C@@H](COc2cc(-c3ccc(N4CCC(C)(NC(=O)c5ncccc5Cl)CC4)nc3)c3c(C#N)cnn3c2)C1.
What is the InChIKey of 3-chloro-N-[1-[5-[3-cyano-6-[[(2R)-4-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is KXPJVOALQYUCLC-XMMPIXPASA-N. The full InChI is InChI=1S/C31H33ClN8O3/c1-31(37-30(41)28-26(32)4-3-9-34-28)7-10-39(11-8-31)27-6-5-21(16-35-27)25-14-23(19-40-29(25)22(15-33)17-36-40)43-20-24-18-38(2)12-13-42-24/h3-6,9,14,16-17,19,24H,7-8,10-13,18,20H2,1-2H3,(H,37,41)/t24-/m1/s1.
What are the key properties of 3-chloro-N-[1-[5-[3-cyano-6-[[(2R)-4-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?
3-chloro-N-[1-[5-[3-cyano-6-[[(2R)-4-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 601.11 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[5-[3-cyano-6-[[(2R)-4-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134435581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).