N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C23H19N7O2 — CID 90683894

IUPACN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnc4[nH]ccc4c3)c2)c2cncnc21
InChIInChI=1S/C23H19N7O2/c1-13(2)30-11-19(18-10-25-12-28-22(18)30)20(31)15-6-17(9-24-7-15)29-23(32)16-5-14-3-4-26-21(14)27-8-16/h3-13H,1-2H3,(H,26,27)(H,29,32)
InChIKeyKFXINDJEDQFHKA-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.77
Rot. Bonds5

About N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 90683894) has the molecular formula C23H19N7O2 and a molecular weight of 425.45 g/mol. Its IUPAC name is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID90683894
Molecular FormulaC23H19N7O2
Molecular Weight425.45 g/mol
Exact Mass425.16
IUPAC NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnc4[nH]ccc4c3)c2)c2cncnc21
InChIInChI=1S/C23H19N7O2/c1-13(2)30-11-19(18-10-25-12-28-22(18)30)20(31)15-6-17(9-24-7-15)29-23(32)16-5-14-3-4-26-21(14)27-8-16/h3-13H,1-2H3,(H,26,27)(H,29,32)
InChIKeyKFXINDJEDQFHKA-UHFFFAOYSA-N
XLogP3.77
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-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

Acalabrutinib
CID 71226662
Alosetron
CID 2099
Ribociclib
CID 44631912
Alosetron Hydrochloride
CID 60758
Pf-06273340
CID 66571548
Lerociclib
CID 86269224
Y-39983
CID 11507964
Plx8394
CID 90116675
(2R,3R)-3-[[6-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)pyrazin-2-yl]amino]-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
CID 56834890
3-(5-Methyl-1H-imidazol-4-yl)-1-(1-methyl-1H-indol-3-yl)-1-propanone
CID 5311136
2-((2-((2-Methyl-4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)benzamide
CID 25218593
1-H-Pyrrolo[2,3-B]pyridine-4-Carboxylic Acid [4-(3h-Imidazo[4,5-C]pyridin-2-Yl)-9h-Fluoren-9-Yl]-Amide
CID 53389265

Frequently Asked Questions

What is the IUPAC name of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 90683894) is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnc4[nH]ccc4c3)c2)c2cncnc21.
What is the InChIKey of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is KFXINDJEDQFHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2/c1-13(2)30-11-19(18-10-25-12-28-22(18)30)20(31)15-6-17(9-24-7-15)29-23(32)16-5-14-3-4-26-21(14)27-8-16/h3-13H,1-2H3,(H,26,27)(H,29,32).
What are the key properties of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 90683894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).