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

C32H35FN8O2 — CID 57384857

IUPACN-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-3-fluoroindazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESC[C@H]1CN(CCOc2ccn3c(C(=O)Nc4cccc5c4c(F)nn5Cc4cccc(C5CC5)n4)cnc3c2)CCN1C
InChIInChI=1S/C32H35FN8O2/c1-21-19-39(14-13-38(21)2)15-16-43-24-11-12-40-28(18-34-29(40)17-24)32(42)36-26-7-4-8-27-30(26)31(33)37-41(27)20-23-5-3-6-25(35-23)22-9-10-22/h3-8,11-12,17-18,21-22H,9-10,13-16,19-20H2,1-2H3,(H,36,42)/t21-/m0/s1
InChIKeyBBKLYFFTFFKMHT-NRFANRHFSA-N
MW582.68 g/mol
LogP4.41
Rot. Bonds9

About N-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-3-fluoroindazol-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]-3-fluoroindazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 57384857) has the molecular formula C32H35FN8O2 and a molecular weight of 582.68 g/mol. Its IUPAC name is N-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-3-fluoroindazol-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]-3-fluoroindazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID57384857
Molecular FormulaC32H35FN8O2
Molecular Weight582.68 g/mol
Exact Mass582.29
IUPAC NameN-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-3-fluoroindazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESC[C@H]1CN(CCOc2ccn3c(C(=O)Nc4cccc5c4c(F)nn5Cc4cccc(C5CC5)n4)cnc3c2)CCN1C
InChIInChI=1S/C32H35FN8O2/c1-21-19-39(14-13-38(21)2)15-16-43-24-11-12-40-28(18-34-29(40)17-24)32(42)36-26-7-4-8-27-30(26)31(33)37-41(27)20-23-5-3-6-25(35-23)22-9-10-22/h3-8,11-12,17-18,21-22H,9-10,13-16,19-20H2,1-2H3,(H,36,42)/t21-/m0/s1
InChIKeyBBKLYFFTFFKMHT-NRFANRHFSA-N
XLogP4.41
TPSA92.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.68
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-3-fluoroindazol-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]-3-fluoroindazol-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]-3-fluoroindazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 57384857) is N-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-3-fluoroindazol-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]-3-fluoroindazol-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]-3-fluoroindazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is C[C@H]1CN(CCOc2ccn3c(C(=O)Nc4cccc5c4c(F)nn5Cc4cccc(C5CC5)n4)cnc3c2)CCN1C.
What is the InChIKey of N-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-3-fluoroindazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BBKLYFFTFFKMHT-NRFANRHFSA-N. The full InChI is InChI=1S/C32H35FN8O2/c1-21-19-39(14-13-38(21)2)15-16-43-24-11-12-40-28(18-34-29(40)17-24)32(42)36-26-7-4-8-27-30(26)31(33)37-41(27)20-23-5-3-6-25(35-23)22-9-10-22/h3-8,11-12,17-18,21-22H,9-10,13-16,19-20H2,1-2H3,(H,36,42)/t21-/m0/s1.
What are the key properties of N-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-3-fluoroindazol-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]-3-fluoroindazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 582.68 g/mol, XLogP of 4.41, 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]-3-fluoroindazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 57384857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).