N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide

C24H23N7O2 — CID 129186655

IUPACN-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide
SMILESCC(C)(C#N)NC(=O)c1cccc(-c2cnc3[nH]c(-c4cnc(C(C)(C)O)nc4)cc3c2)n1
InChIInChI=1S/C24H23N7O2/c1-23(2,13-25)31-21(32)18-7-5-6-17(29-18)15-8-14-9-19(30-20(14)26-10-15)16-11-27-22(28-12-16)24(3,4)33/h5-12,33H,1-4H3,(H,26,30)(H,31,32)
InChIKeyOYOHXLCFSLPIFK-UHFFFAOYSA-N
MW441.50 g/mol
LogP3.34
Rot. Bonds5

About N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide

N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide (PubChem CID 129186655) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide
PubChem CID129186655
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC NameN-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide
SMILESCC(C)(C#N)NC(=O)c1cccc(-c2cnc3[nH]c(-c4cnc(C(C)(C)O)nc4)cc3c2)n1
InChIInChI=1S/C24H23N7O2/c1-23(2,13-25)31-21(32)18-7-5-6-17(29-18)15-8-14-9-19(30-20(14)26-10-15)16-11-27-22(28-12-16)24(3,4)33/h5-12,33H,1-4H3,(H,26,30)(H,31,32)
InChIKeyOYOHXLCFSLPIFK-UHFFFAOYSA-N
XLogP3.34
TPSA140.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide (CID 129186655) is N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide is CC(C)(C#N)NC(=O)c1cccc(-c2cnc3[nH]c(-c4cnc(C(C)(C)O)nc4)cc3c2)n1.
What is the InChIKey of N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide?
The InChIKey is OYOHXLCFSLPIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-23(2,13-25)31-21(32)18-7-5-6-17(29-18)15-8-14-9-19(30-20(14)26-10-15)16-11-27-22(28-12-16)24(3,4)33/h5-12,33H,1-4H3,(H,26,30)(H,31,32).
What are the key properties of N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide?
N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide has a molecular weight of 441.50 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-6-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 129186655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).