N-[3-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]oxolane-3-carboxamide

C31H32FN7O2S — CID 146267514

IUPACN-[3-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]oxolane-3-carboxamide
SMILESCCc1nn2c(C)cc(N3CC4C(C3)C4NC(=O)C3CCOC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C31H32FN7O2S/c1-4-24-29(37(3)31-35-27(26(13-33)42-31)18-5-7-20(32)8-6-18)25-12-21(11-17(2)39(25)36-24)38-14-22-23(15-38)28(22)34-30(40)19-9-10-41-16-19/h5-8,11-12,19,22-23,28H,4,9-10,14-16H2,1-3H3,(H,34,40)
InChIKeyZQZMSZJEQRKQRE-UHFFFAOYSA-N
MW585.71 g/mol
LogP4.69
Rot. Bonds7

About N-[3-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]oxolane-3-carboxamide

N-[3-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]oxolane-3-carboxamide (PubChem CID 146267514) has the molecular formula C31H32FN7O2S and a molecular weight of 585.71 g/mol. Its IUPAC name is N-[3-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[3-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]oxolane-3-carboxamide
PubChem CID146267514
Molecular FormulaC31H32FN7O2S
Molecular Weight585.71 g/mol
Exact Mass585.23
IUPAC NameN-[3-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]oxolane-3-carboxamide
SMILESCCc1nn2c(C)cc(N3CC4C(C3)C4NC(=O)C3CCOC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C31H32FN7O2S/c1-4-24-29(37(3)31-35-27(26(13-33)42-31)18-5-7-20(32)8-6-18)25-12-21(11-17(2)39(25)36-24)38-14-22-23(15-38)28(22)34-30(40)19-9-10-41-16-19/h5-8,11-12,19,22-23,28H,4,9-10,14-16H2,1-3H3,(H,34,40)
InChIKeyZQZMSZJEQRKQRE-UHFFFAOYSA-N
XLogP4.69
TPSA98.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.71
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[3-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]oxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]oxolane-3-carboxamide?
The IUPAC name of N-[3-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]oxolane-3-carboxamide (CID 146267514) is N-[3-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[3-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[3-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]oxolane-3-carboxamide is CCc1nn2c(C)cc(N3CC4C(C3)C4NC(=O)C3CCOC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of N-[3-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]oxolane-3-carboxamide?
The InChIKey is ZQZMSZJEQRKQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN7O2S/c1-4-24-29(37(3)31-35-27(26(13-33)42-31)18-5-7-20(32)8-6-18)25-12-21(11-17(2)39(25)36-24)38-14-22-23(15-38)28(22)34-30(40)19-9-10-41-16-19/h5-8,11-12,19,22-23,28H,4,9-10,14-16H2,1-3H3,(H,34,40).
What are the key properties of N-[3-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]oxolane-3-carboxamide?
N-[3-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]oxolane-3-carboxamide has a molecular weight of 585.71 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]oxolane-3-carboxamide is sourced from PubChem (CID 146267514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).