2-amino-N-[(1,5-dimethylindazol-3-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide

C19H21N7O — CID 70706243

IUPAC2-amino-N-[(1,5-dimethylindazol-3-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1c(N)nc2cc(C(=O)NCc3nn(C)c4ccc(C)cc34)cnc21
InChIInChI=1S/C19H21N7O/c1-4-26-17-14(23-19(26)20)8-12(9-21-17)18(27)22-10-15-13-7-11(2)5-6-16(13)25(3)24-15/h5-9H,4,10H2,1-3H3,(H2,20,23)(H,22,27)
InChIKeyQOADOSZCUVVYBX-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.16
Rot. Bonds4

About 2-amino-N-[(1,5-dimethylindazol-3-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide

2-amino-N-[(1,5-dimethylindazol-3-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 70706243) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 2-amino-N-[(1,5-dimethylindazol-3-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1,5-dimethylindazol-3-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID70706243
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name2-amino-N-[(1,5-dimethylindazol-3-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1c(N)nc2cc(C(=O)NCc3nn(C)c4ccc(C)cc34)cnc21
InChIInChI=1S/C19H21N7O/c1-4-26-17-14(23-19(26)20)8-12(9-21-17)18(27)22-10-15-13-7-11(2)5-6-16(13)25(3)24-15/h5-9H,4,10H2,1-3H3,(H2,20,23)(H,22,27)
InChIKeyQOADOSZCUVVYBX-UHFFFAOYSA-N
XLogP2.16
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1,5-dimethylindazol-3-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-amino-N-[(1,5-dimethylindazol-3-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide (CID 70706243) is 2-amino-N-[(1,5-dimethylindazol-3-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-amino-N-[(1,5-dimethylindazol-3-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-amino-N-[(1,5-dimethylindazol-3-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide is CCn1c(N)nc2cc(C(=O)NCc3nn(C)c4ccc(C)cc34)cnc21.
What is the InChIKey of 2-amino-N-[(1,5-dimethylindazol-3-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is QOADOSZCUVVYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-4-26-17-14(23-19(26)20)8-12(9-21-17)18(27)22-10-15-13-7-11(2)5-6-16(13)25(3)24-15/h5-9H,4,10H2,1-3H3,(H2,20,23)(H,22,27).
What are the key properties of 2-amino-N-[(1,5-dimethylindazol-3-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide?
2-amino-N-[(1,5-dimethylindazol-3-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1,5-dimethylindazol-3-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 70706243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).