3-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-b]pyridine-6-carboxamide

C16H20N6O — CID 175642942

IUPAC3-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cnc2c(c1)ncn2C(C)C
InChIInChI=1S/C16H20N6O/c1-9(2)22-8-18-13-6-12(7-17-15(13)22)16(23)19-14-10(3)20-21(5)11(14)4/h6-9H,1-5H3,(H,19,23)
InChIKeyGJTBYEUJEMGKRF-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.61
Rot. Bonds3

About 3-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-b]pyridine-6-carboxamide

3-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 175642942) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 3-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID175642942
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name3-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cnc2c(c1)ncn2C(C)C
InChIInChI=1S/C16H20N6O/c1-9(2)22-8-18-13-6-12(7-17-15(13)22)16(23)19-14-10(3)20-21(5)11(14)4/h6-9H,1-5H3,(H,19,23)
InChIKeyGJTBYEUJEMGKRF-UHFFFAOYSA-N
XLogP2.61
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-b]pyridine-6-carboxamide (CID 175642942) is 3-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-b]pyridine-6-carboxamide is Cc1nn(C)c(C)c1NC(=O)c1cnc2c(c1)ncn2C(C)C.
What is the InChIKey of 3-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is GJTBYEUJEMGKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-9(2)22-8-18-13-6-12(7-17-15(13)22)16(23)19-14-10(3)20-21(5)11(14)4/h6-9H,1-5H3,(H,19,23).
What are the key properties of 3-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-b]pyridine-6-carboxamide?
3-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 175642942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).