N-[2-(2-carbamoyl-4,6-difluorophenoxy)spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide

C29H32F2N4O5 — CID 130230030

IUPACN-[2-(2-carbamoyl-4,6-difluorophenoxy)spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(O)COc1ccc2c(C(=O)NC3CC4(C3)CC(Oc3c(F)cc(F)cc3C(N)=O)C4)cnn2c1C1CC1
InChIInChI=1S/C29H32F2N4O5/c1-28(2,38)14-39-23-6-5-22-20(13-33-35(22)24(23)15-3-4-15)27(37)34-17-9-29(10-17)11-18(12-29)40-25-19(26(32)36)7-16(30)8-21(25)31/h5-8,13,15,17-18,38H,3-4,9-12,14H2,1-2H3,(H2,32,36)(H,34,37)
InChIKeyRQMZULNXRQQWTJ-UHFFFAOYSA-N
MW554.59 g/mol
LogP3.86
Rot. Bonds9

About N-[2-(2-carbamoyl-4,6-difluorophenoxy)spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide

N-[2-(2-carbamoyl-4,6-difluorophenoxy)spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 130230030) has the molecular formula C29H32F2N4O5 and a molecular weight of 554.59 g/mol. Its IUPAC name is N-[2-(2-carbamoyl-4,6-difluorophenoxy)spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-carbamoyl-4,6-difluorophenoxy)spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID130230030
Molecular FormulaC29H32F2N4O5
Molecular Weight554.59 g/mol
Exact Mass554.23
IUPAC NameN-[2-(2-carbamoyl-4,6-difluorophenoxy)spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(O)COc1ccc2c(C(=O)NC3CC4(C3)CC(Oc3c(F)cc(F)cc3C(N)=O)C4)cnn2c1C1CC1
InChIInChI=1S/C29H32F2N4O5/c1-28(2,38)14-39-23-6-5-22-20(13-33-35(22)24(23)15-3-4-15)27(37)34-17-9-29(10-17)11-18(12-29)40-25-19(26(32)36)7-16(30)8-21(25)31/h5-8,13,15,17-18,38H,3-4,9-12,14H2,1-2H3,(H2,32,36)(H,34,37)
InChIKeyRQMZULNXRQQWTJ-UHFFFAOYSA-N
XLogP3.86
TPSA128.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.59
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-(2-carbamoyl-4,6-difluorophenoxy)spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-carbamoyl-4,6-difluorophenoxy)spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-carbamoyl-4,6-difluorophenoxy)spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 130230030) is N-[2-(2-carbamoyl-4,6-difluorophenoxy)spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-carbamoyl-4,6-difluorophenoxy)spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-carbamoyl-4,6-difluorophenoxy)spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)(O)COc1ccc2c(C(=O)NC3CC4(C3)CC(Oc3c(F)cc(F)cc3C(N)=O)C4)cnn2c1C1CC1.
What is the InChIKey of N-[2-(2-carbamoyl-4,6-difluorophenoxy)spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is RQMZULNXRQQWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F2N4O5/c1-28(2,38)14-39-23-6-5-22-20(13-33-35(22)24(23)15-3-4-15)27(37)34-17-9-29(10-17)11-18(12-29)40-25-19(26(32)36)7-16(30)8-21(25)31/h5-8,13,15,17-18,38H,3-4,9-12,14H2,1-2H3,(H2,32,36)(H,34,37).
What are the key properties of N-[2-(2-carbamoyl-4,6-difluorophenoxy)spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[2-(2-carbamoyl-4,6-difluorophenoxy)spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 554.59 g/mol, XLogP of 3.86, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-carbamoyl-4,6-difluorophenoxy)spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 130230030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).