N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C18H17N7O — CID 164618889

IUPACN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cccnc3[nH]2)n1
InChIInChI=1S/C18H17N7O/c1-11(2)25-10-20-24-17(25)13-6-3-7-15(21-13)23-18(26)14-9-12-5-4-8-19-16(12)22-14/h3-11H,1-2H3,(H,19,22)(H,21,23,26)
InChIKeyQCRRLZCYKAOOEO-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.05
Rot. Bonds4

About N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 164618889) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID164618889
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC NameN-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cccnc3[nH]2)n1
InChIInChI=1S/C18H17N7O/c1-11(2)25-10-20-24-17(25)13-6-3-7-15(21-13)23-18(26)14-9-12-5-4-8-19-16(12)22-14/h3-11H,1-2H3,(H,19,22)(H,21,23,26)
InChIKeyQCRRLZCYKAOOEO-UHFFFAOYSA-N
XLogP3.05
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 164618889) is N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3cccnc3[nH]2)n1.
What is the InChIKey of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is QCRRLZCYKAOOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-11(2)25-10-20-24-17(25)13-6-3-7-15(21-13)23-18(26)14-9-12-5-4-8-19-16(12)22-14/h3-11H,1-2H3,(H,19,22)(H,21,23,26).
What are the key properties of N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 164618889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).