N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide

C32H35FN8O3 — CID 134435573

IUPACN-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NC1(C)CCN(c2cnc(-c3cc(OCCN4CCOCC4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C32H35FN8O3/c1-22-3-4-24(33)15-26(22)31(42)38-32(2)5-7-40(8-6-32)29-20-35-28(19-36-29)27-16-25(21-41-30(27)23(17-34)18-37-41)44-14-11-39-9-12-43-13-10-39/h3-4,15-16,18-21H,5-14H2,1-2H3,(H,38,42)
InChIKeyQISHHAFJOWLUQL-UHFFFAOYSA-N
MW598.68 g/mol
LogP3.61
Rot. Bonds8

About N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide

N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide (PubChem CID 134435573) has the molecular formula C32H35FN8O3 and a molecular weight of 598.68 g/mol. Its IUPAC name is N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide
PubChem CID134435573
Molecular FormulaC32H35FN8O3
Molecular Weight598.68 g/mol
Exact Mass598.28
IUPAC NameN-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NC1(C)CCN(c2cnc(-c3cc(OCCN4CCOCC4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C32H35FN8O3/c1-22-3-4-24(33)15-26(22)31(42)38-32(2)5-7-40(8-6-32)29-20-35-28(19-36-29)27-16-25(21-41-30(27)23(17-34)18-37-41)44-14-11-39-9-12-43-13-10-39/h3-4,15-16,18-21H,5-14H2,1-2H3,(H,38,42)
InChIKeyQISHHAFJOWLUQL-UHFFFAOYSA-N
XLogP3.61
TPSA120.91 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.68
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide?
The IUPAC name of N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide (CID 134435573) is N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)NC1(C)CCN(c2cnc(-c3cc(OCCN4CCOCC4)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide?
The InChIKey is QISHHAFJOWLUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN8O3/c1-22-3-4-24(33)15-26(22)31(42)38-32(2)5-7-40(8-6-32)29-20-35-28(19-36-29)27-16-25(21-41-30(27)23(17-34)18-37-41)44-14-11-39-9-12-43-13-10-39/h3-4,15-16,18-21H,5-14H2,1-2H3,(H,38,42).
What are the key properties of N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide?
N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide has a molecular weight of 598.68 g/mol, XLogP of 3.61, 8 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-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 134435573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).