N-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dimethyl-1H-pyrazole-3-carboxamide

C13H13N5O2 — CID 166816512

IUPACN-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnc3[nH]c(O)cc3c2)c1C
InChIInChI=1S/C13H13N5O2/c1-6-7(2)17-18-11(6)13(20)15-9-3-8-4-10(19)16-12(8)14-5-9/h3-5,19H,1-2H3,(H,14,16)(H,15,20)(H,17,18)
InChIKeyUBZNDRAZOBEBTI-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.86
Rot. Bonds2

About N-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dimethyl-1H-pyrazole-3-carboxamide

N-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 166816512) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID166816512
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC NameN-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnc3[nH]c(O)cc3c2)c1C
InChIInChI=1S/C13H13N5O2/c1-6-7(2)17-18-11(6)13(20)15-9-3-8-4-10(19)16-12(8)14-5-9/h3-5,19H,1-2H3,(H,14,16)(H,15,20)(H,17,18)
InChIKeyUBZNDRAZOBEBTI-UHFFFAOYSA-N
XLogP1.86
TPSA106.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dimethyl-1H-pyrazole-3-carboxamide (CID 166816512) is N-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dimethyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2cnc3[nH]c(O)cc3c2)c1C.
What is the InChIKey of N-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is UBZNDRAZOBEBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-6-7(2)17-18-11(6)13(20)15-9-3-8-4-10(19)16-12(8)14-5-9/h3-5,19H,1-2H3,(H,14,16)(H,15,20)(H,17,18).
What are the key properties of N-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
N-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 166816512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).