N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide

C24H25N5O3 — CID 134328462

IUPACN-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
SMILESCOCCOc1ccn2c(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cnc2c1
InChIInChI=1S/C24H25N5O3/c1-16-3-4-17(24(30)27-19-5-6-19)11-21(16)18-13-26-29(15-18)23-14-25-22-12-20(7-8-28(22)23)32-10-9-31-2/h3-4,7-8,11-15,19H,5-6,9-10H2,1-2H3,(H,27,30)
InChIKeyKHWITQZALFAMGX-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.41
Rot. Bonds8

About N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide

N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide (PubChem CID 134328462) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
PubChem CID134328462
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC NameN-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
SMILESCOCCOc1ccn2c(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cnc2c1
InChIInChI=1S/C24H25N5O3/c1-16-3-4-17(24(30)27-19-5-6-19)11-21(16)18-13-26-29(15-18)23-14-25-22-12-20(7-8-28(22)23)32-10-9-31-2/h3-4,7-8,11-15,19H,5-6,9-10H2,1-2H3,(H,27,30)
InChIKeyKHWITQZALFAMGX-UHFFFAOYSA-N
XLogP3.41
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.41
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-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide (CID 134328462) is N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide is COCCOc1ccn2c(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cnc2c1.
What is the InChIKey of N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The InChIKey is KHWITQZALFAMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-16-3-4-17(24(30)27-19-5-6-19)11-21(16)18-13-26-29(15-18)23-14-25-22-12-20(7-8-28(22)23)32-10-9-31-2/h3-4,7-8,11-15,19H,5-6,9-10H2,1-2H3,(H,27,30).
What are the key properties of N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 431.50 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 134328462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).