1-[2-(2-methoxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide

C16H13N7O2 — CID 170692792

IUPAC1-[2-(2-methoxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide
SMILESCOc1nccc(-c2cc3cnc(-n4cc(C(N)=O)cn4)cc3[nH]2)n1
InChIInChI=1S/C16H13N7O2/c1-25-16-18-3-2-11(22-16)13-4-9-6-19-14(5-12(9)21-13)23-8-10(7-20-23)15(17)24/h2-8,21H,1H3,(H2,17,24)
InChIKeyBXEBIWUQKOYRAE-UHFFFAOYSA-N
MW335.33 g/mol
LogP1.31
Rot. Bonds4

About 1-[2-(2-methoxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide

1-[2-(2-methoxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide (PubChem CID 170692792) has the molecular formula C16H13N7O2 and a molecular weight of 335.33 g/mol. Its IUPAC name is 1-[2-(2-methoxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-methoxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide
PubChem CID170692792
Molecular FormulaC16H13N7O2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC Name1-[2-(2-methoxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide
SMILESCOc1nccc(-c2cc3cnc(-n4cc(C(N)=O)cn4)cc3[nH]2)n1
InChIInChI=1S/C16H13N7O2/c1-25-16-18-3-2-11(22-16)13-4-9-6-19-14(5-12(9)21-13)23-8-10(7-20-23)15(17)24/h2-8,21H,1H3,(H2,17,24)
InChIKeyBXEBIWUQKOYRAE-UHFFFAOYSA-N
XLogP1.31
TPSA124.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[2-(2-methoxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide (CID 170692792) is 1-[2-(2-methoxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[2-(2-methoxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[2-(2-methoxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide is COc1nccc(-c2cc3cnc(-n4cc(C(N)=O)cn4)cc3[nH]2)n1.
What is the InChIKey of 1-[2-(2-methoxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide?
The InChIKey is BXEBIWUQKOYRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O2/c1-25-16-18-3-2-11(22-16)13-4-9-6-19-14(5-12(9)21-13)23-8-10(7-20-23)15(17)24/h2-8,21H,1H3,(H2,17,24).
What are the key properties of 1-[2-(2-methoxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide?
1-[2-(2-methoxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide has a molecular weight of 335.33 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxypyrimidin-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 170692792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).