N-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-5-fluoro-3-methylindazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

C33H37FN8O2 — CID 57385864

IUPACN-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-5-fluoro-3-methylindazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nn(Cc2cccc(C3CC3)n2)c2ccc(F)c(NC(=O)c3cnc4cc(OCCN5CCN(C)[C@@H](C)C5)ccn34)c12
InChIInChI=1S/C33H37FN8O2/c1-21-19-40(14-13-39(21)3)15-16-44-25-11-12-41-29(18-35-30(41)17-25)33(43)37-32-26(34)9-10-28-31(32)22(2)38-42(28)20-24-5-4-6-27(36-24)23-7-8-23/h4-6,9-12,17-18,21,23H,7-8,13-16,19-20H2,1-3H3,(H,37,43)/t21-/m0/s1
InChIKeyDSJQUCSAACZITJ-NRFANRHFSA-N
MW596.71 g/mol
LogP4.72
Rot. Bonds9

About N-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-5-fluoro-3-methylindazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

N-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-5-fluoro-3-methylindazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 57385864) has the molecular formula C33H37FN8O2 and a molecular weight of 596.71 g/mol. Its IUPAC name is N-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-5-fluoro-3-methylindazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-5-fluoro-3-methylindazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID57385864
Molecular FormulaC33H37FN8O2
Molecular Weight596.71 g/mol
Exact Mass596.30
IUPAC NameN-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-5-fluoro-3-methylindazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nn(Cc2cccc(C3CC3)n2)c2ccc(F)c(NC(=O)c3cnc4cc(OCCN5CCN(C)[C@@H](C)C5)ccn34)c12
InChIInChI=1S/C33H37FN8O2/c1-21-19-40(14-13-39(21)3)15-16-44-25-11-12-41-29(18-35-30(41)17-25)33(43)37-32-26(34)9-10-28-31(32)22(2)38-42(28)20-24-5-4-6-27(36-24)23-7-8-23/h4-6,9-12,17-18,21,23H,7-8,13-16,19-20H2,1-3H3,(H,37,43)/t21-/m0/s1
InChIKeyDSJQUCSAACZITJ-NRFANRHFSA-N
XLogP4.72
TPSA92.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.71
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-5-fluoro-3-methylindazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-5-fluoro-3-methylindazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-5-fluoro-3-methylindazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 57385864) is N-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-5-fluoro-3-methylindazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-5-fluoro-3-methylindazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-5-fluoro-3-methylindazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nn(Cc2cccc(C3CC3)n2)c2ccc(F)c(NC(=O)c3cnc4cc(OCCN5CCN(C)[C@@H](C)C5)ccn34)c12.
What is the InChIKey of N-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-5-fluoro-3-methylindazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is DSJQUCSAACZITJ-NRFANRHFSA-N. The full InChI is InChI=1S/C33H37FN8O2/c1-21-19-40(14-13-39(21)3)15-16-44-25-11-12-41-29(18-35-30(41)17-25)33(43)37-32-26(34)9-10-28-31(32)22(2)38-42(28)20-24-5-4-6-27(36-24)23-7-8-23/h4-6,9-12,17-18,21,23H,7-8,13-16,19-20H2,1-3H3,(H,37,43)/t21-/m0/s1.
What are the key properties of N-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-5-fluoro-3-methylindazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
N-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-5-fluoro-3-methylindazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 596.71 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-5-fluoro-3-methylindazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 57385864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).