N-[1-(cyclopropylmethyl)-3-methylindazol-4-yl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide

C23H25N5O3 — CID 57387873

IUPACN-[1-(cyclopropylmethyl)-3-methylindazol-4-yl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOCCOc1ccn2c(C(=O)Nc3cccc4c3c(C)nn4CC3CC3)cnc2c1
InChIInChI=1S/C23H25N5O3/c1-15-22-18(4-3-5-19(22)28(26-15)14-16-6-7-16)25-23(29)20-13-24-21-12-17(8-9-27(20)21)31-11-10-30-2/h3-5,8-9,12-13,16H,6-7,10-11,14H2,1-2H3,(H,25,29)
InChIKeyLICJBYVQMNQFMP-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.68
Rot. Bonds8

About N-[1-(cyclopropylmethyl)-3-methylindazol-4-yl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide

N-[1-(cyclopropylmethyl)-3-methylindazol-4-yl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 57387873) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)-3-methylindazol-4-yl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)-3-methylindazol-4-yl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID57387873
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-[1-(cyclopropylmethyl)-3-methylindazol-4-yl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOCCOc1ccn2c(C(=O)Nc3cccc4c3c(C)nn4CC3CC3)cnc2c1
InChIInChI=1S/C23H25N5O3/c1-15-22-18(4-3-5-19(22)28(26-15)14-16-6-7-16)25-23(29)20-13-24-21-12-17(8-9-27(20)21)31-11-10-30-2/h3-5,8-9,12-13,16H,6-7,10-11,14H2,1-2H3,(H,25,29)
InChIKeyLICJBYVQMNQFMP-UHFFFAOYSA-N
XLogP3.68
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)-3-methylindazol-4-yl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[1-(cyclopropylmethyl)-3-methylindazol-4-yl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide (CID 57387873) is N-[1-(cyclopropylmethyl)-3-methylindazol-4-yl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)-3-methylindazol-4-yl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)-3-methylindazol-4-yl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide is COCCOc1ccn2c(C(=O)Nc3cccc4c3c(C)nn4CC3CC3)cnc2c1.
What is the InChIKey of N-[1-(cyclopropylmethyl)-3-methylindazol-4-yl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is LICJBYVQMNQFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-15-22-18(4-3-5-19(22)28(26-15)14-16-6-7-16)25-23(29)20-13-24-21-12-17(8-9-27(20)21)31-11-10-30-2/h3-5,8-9,12-13,16H,6-7,10-11,14H2,1-2H3,(H,25,29).
What are the key properties of N-[1-(cyclopropylmethyl)-3-methylindazol-4-yl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
N-[1-(cyclopropylmethyl)-3-methylindazol-4-yl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)-3-methylindazol-4-yl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 57387873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).