2-amino-3-ethyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide

C20H21N7O — CID 70743808

IUPAC2-amino-3-ethyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1c(N)nc2cc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)cnc21
InChIInChI=1S/C20H21N7O/c1-3-26-18-17(24-20(26)21)9-15(11-22-18)19(28)25(2)12-14-10-23-27(13-14)16-7-5-4-6-8-16/h4-11,13H,3,12H2,1-2H3,(H2,21,24)
InChIKeyMCDBVODNVPINHX-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.49
Rot. Bonds5

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

2-amino-3-ethyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 70743808) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 2-amino-3-ethyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-amino-3-ethyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID70743808
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name2-amino-3-ethyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1c(N)nc2cc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)cnc21
InChIInChI=1S/C20H21N7O/c1-3-26-18-17(24-20(26)21)9-15(11-22-18)19(28)25(2)12-14-10-23-27(13-14)16-7-5-4-6-8-16/h4-11,13H,3,12H2,1-2H3,(H2,21,24)
InChIKeyMCDBVODNVPINHX-UHFFFAOYSA-N
XLogP2.49
TPSA94.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-ethyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-amino-3-ethyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 70743808) is 2-amino-3-ethyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-amino-3-ethyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-amino-3-ethyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is CCn1c(N)nc2cc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)cnc21.
What is the InChIKey of 2-amino-3-ethyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is MCDBVODNVPINHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-3-26-18-17(24-20(26)21)9-15(11-22-18)19(28)25(2)12-14-10-23-27(13-14)16-7-5-4-6-8-16/h4-11,13H,3,12H2,1-2H3,(H2,21,24).
What are the key properties of 2-amino-3-ethyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
2-amino-3-ethyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 375.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-ethyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 70743808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).