1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[3-(3,3,3-trifluoropropylcarbamoyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C22H25F3N8O2 — CID 155154958

IUPAC1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[3-(3,3,3-trifluoropropylcarbamoyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NC2CC(C(=O)NCCC(F)(F)F)C2)c2c1CCN(c1ncnc3[nH]ccc13)C2
InChIInChI=1S/C22H25F3N8O2/c1-32-16-3-7-33(19-14-2-5-26-18(14)28-11-29-19)10-15(16)17(31-32)21(35)30-13-8-12(9-13)20(34)27-6-4-22(23,24)25/h2,5,11-13H,3-4,6-10H2,1H3,(H,27,34)(H,30,35)(H,26,28,29)
InChIKeyPKTRTAFQQYKXJA-UHFFFAOYSA-N
MW490.49 g/mol
LogP1.83
Rot. Bonds6

About 1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[3-(3,3,3-trifluoropropylcarbamoyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[3-(3,3,3-trifluoropropylcarbamoyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 155154958) has the molecular formula C22H25F3N8O2 and a molecular weight of 490.49 g/mol. Its IUPAC name is 1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[3-(3,3,3-trifluoropropylcarbamoyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[3-(3,3,3-trifluoropropylcarbamoyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID155154958
Molecular FormulaC22H25F3N8O2
Molecular Weight490.49 g/mol
Exact Mass490.21
IUPAC Name1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[3-(3,3,3-trifluoropropylcarbamoyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NC2CC(C(=O)NCCC(F)(F)F)C2)c2c1CCN(c1ncnc3[nH]ccc13)C2
InChIInChI=1S/C22H25F3N8O2/c1-32-16-3-7-33(19-14-2-5-26-18(14)28-11-29-19)10-15(16)17(31-32)21(35)30-13-8-12(9-13)20(34)27-6-4-22(23,24)25/h2,5,11-13H,3-4,6-10H2,1H3,(H,27,34)(H,30,35)(H,26,28,29)
InChIKeyPKTRTAFQQYKXJA-UHFFFAOYSA-N
XLogP1.83
TPSA120.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.49
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[3-(3,3,3-trifluoropropylcarbamoyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[4,3-c]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

Itacitinib
CID 53380437
Fn-1501
CID 72195175
4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 57377960
(R)-N-(1-Benzyl-1H-pyrazol-4-yl)-9-methyl-6-oxo-6,7,8,9-tetrahydropyrido[3',2':4,5]pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 53230343
5-methyl-2-[(1S)-1-[[5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 73775931
5-methyl-3-phenyl-2-[(1S)-1-[[5-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 73776931
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(2-methyl-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 57378388
3-[4-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-1-[1-[[2-(trifluoromethyl)-4-pyrimidinyl]carbonyl]-4-piperidinyl]-3-azetidineacetonitrile
CID 67391950
3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide
CID 162653191
4-[1-Ethyl-3-(4-{[(phenylamino)carbonyl]amino}phenyl)-1Hpyrazol-4-yl]-N-[2-(4-methyl-1-piperazinyl)ethyl]-1H-pyrrolo-[2,3-b]pyridine-2-carboxamide
CID 46236769
N-methyl-7-oxo-6-prop-2-enyl-N-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338332
6-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 155540396

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[3-(3,3,3-trifluoropropylcarbamoyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[3-(3,3,3-trifluoropropylcarbamoyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 155154958) is 1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[3-(3,3,3-trifluoropropylcarbamoyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[3-(3,3,3-trifluoropropylcarbamoyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[3-(3,3,3-trifluoropropylcarbamoyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cn1nc(C(=O)NC2CC(C(=O)NCCC(F)(F)F)C2)c2c1CCN(c1ncnc3[nH]ccc13)C2.
What is the InChIKey of 1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[3-(3,3,3-trifluoropropylcarbamoyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is PKTRTAFQQYKXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N8O2/c1-32-16-3-7-33(19-14-2-5-26-18(14)28-11-29-19)10-15(16)17(31-32)21(35)30-13-8-12(9-13)20(34)27-6-4-22(23,24)25/h2,5,11-13H,3-4,6-10H2,1H3,(H,27,34)(H,30,35)(H,26,28,29).
What are the key properties of 1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[3-(3,3,3-trifluoropropylcarbamoyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[3-(3,3,3-trifluoropropylcarbamoyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 490.49 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[3-(3,3,3-trifluoropropylcarbamoyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 155154958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).