N-(2,2-difluoroethyl)-5-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C23H25F2N7O2 — CID 168772563

IUPACN-(2,2-difluoroethyl)-5-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOC1CCC(Nc2ncc3c(-c4ccn5ncc(C(=O)NCC(F)F)c5c4)c[nH]c3n2)CC1
InChIInChI=1S/C23H25F2N7O2/c1-34-15-4-2-14(3-5-15)30-23-28-10-17-16(9-26-21(17)31-23)13-6-7-32-19(8-13)18(11-29-32)22(33)27-12-20(24)25/h6-11,14-15,20H,2-5,12H2,1H3,(H,27,33)(H2,26,28,30,31)
InChIKeyXEZDLAUENRHNSS-UHFFFAOYSA-N
MW469.50 g/mol
LogP3.64
Rot. Bonds7

About N-(2,2-difluoroethyl)-5-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-(2,2-difluoroethyl)-5-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 168772563) has the molecular formula C23H25F2N7O2 and a molecular weight of 469.50 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID168772563
Molecular FormulaC23H25F2N7O2
Molecular Weight469.50 g/mol
Exact Mass469.20
IUPAC NameN-(2,2-difluoroethyl)-5-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOC1CCC(Nc2ncc3c(-c4ccn5ncc(C(=O)NCC(F)F)c5c4)c[nH]c3n2)CC1
InChIInChI=1S/C23H25F2N7O2/c1-34-15-4-2-14(3-5-15)30-23-28-10-17-16(9-26-21(17)31-23)13-6-7-32-19(8-13)18(11-29-32)22(33)27-12-20(24)25/h6-11,14-15,20H,2-5,12H2,1H3,(H,27,33)(H2,26,28,30,31)
InChIKeyXEZDLAUENRHNSS-UHFFFAOYSA-N
XLogP3.64
TPSA109.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(2,2-difluoroethyl)-5-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-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

Related Compounds

N-(4-methoxycyclohexyl)-5-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 168774063
5-[2-[(3,3-difluorocyclobutyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 168773647
N-(2,2-difluoroethyl)-5-[2-[[1-(trifluoromethyl)cyclopropyl]methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 168773337
N-(2-fluoro-2-methylpropyl)-5-[2-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 168773621
N-(2,2-difluoroethyl)-6-[2-[[4-(trifluoromethoxy)cyclohexyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 168773207
[4-[[5-[3-(2,2-difluoroethyl)-2-methylbenzimidazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]-pyrrolidin-1-ylmethanone
CID 168772615
5-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 168773533
6-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4,4-dimethyl-2,3-dihydroisoquinolin-1-one
CID 168772886
5-[4-methoxy-2-(2-oxaspiro[3.5]nonan-7-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 168773388
5-(2-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-N-(3,3-difluorocyclobutyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 168773574
N-[3-[[5-[3-(2,2-difluoroethyl)-2-methylbenzimidazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1-methylcyclobutyl]acetamide
CID 168773496
5-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 175879534

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-5-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 168772563) is N-(2,2-difluoroethyl)-5-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-5-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is COC1CCC(Nc2ncc3c(-c4ccn5ncc(C(=O)NCC(F)F)c5c4)c[nH]c3n2)CC1.
What is the InChIKey of N-(2,2-difluoroethyl)-5-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is XEZDLAUENRHNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N7O2/c1-34-15-4-2-14(3-5-15)30-23-28-10-17-16(9-26-21(17)31-23)13-6-7-32-19(8-13)18(11-29-32)22(33)27-12-20(24)25/h6-11,14-15,20H,2-5,12H2,1H3,(H,27,33)(H2,26,28,30,31).
What are the key properties of N-(2,2-difluoroethyl)-5-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-(2,2-difluoroethyl)-5-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 469.50 g/mol, XLogP of 3.64, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 168772563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).