N-[1-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C25H25N7O — CID 67259457

IUPACN-[1-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cnn(CC3CC3)c2)c2cccc(NC(=O)c3cnc4ccccn34)c12
InChIInChI=1S/C25H25N7O/c1-2-19-24-20(28-25(33)22-13-26-23-8-3-4-11-31(22)23)6-5-7-21(24)32(29-19)16-18-12-27-30(15-18)14-17-9-10-17/h3-8,11-13,15,17H,2,9-10,14,16H2,1H3,(H,28,33)
InChIKeyTXWIDKJIHCZZPC-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.15
Rot. Bonds7

About N-[1-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

N-[1-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67259457) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[1-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67259457
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC NameN-[1-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cnn(CC3CC3)c2)c2cccc(NC(=O)c3cnc4ccccn34)c12
InChIInChI=1S/C25H25N7O/c1-2-19-24-20(28-25(33)22-13-26-23-8-3-4-11-31(22)23)6-5-7-21(24)32(29-19)16-18-12-27-30(15-18)14-17-9-10-17/h3-8,11-13,15,17H,2,9-10,14,16H2,1H3,(H,28,33)
InChIKeyTXWIDKJIHCZZPC-UHFFFAOYSA-N
XLogP4.15
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[1-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 67259457) is N-[1-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2cnn(CC3CC3)c2)c2cccc(NC(=O)c3cnc4ccccn34)c12.
What is the InChIKey of N-[1-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is TXWIDKJIHCZZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-2-19-24-20(28-25(33)22-13-26-23-8-3-4-11-31(22)23)6-5-7-21(24)32(29-19)16-18-12-27-30(15-18)14-17-9-10-17/h3-8,11-13,15,17H,2,9-10,14,16H2,1H3,(H,28,33).
What are the key properties of N-[1-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[1-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67259457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).