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

C33H37FN8O2 — CID 57384598

IUPACN-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-3-fluoroindazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)N1CCN(CCOc2ccn3c(C(=O)Nc4cccc5c4c(F)nn5Cc4cccc(C5CC5)n4)cnc3c2)CC1
InChIInChI=1S/C33H37FN8O2/c1-22(2)40-15-13-39(14-16-40)17-18-44-25-11-12-41-29(20-35-30(41)19-25)33(43)37-27-7-4-8-28-31(27)32(34)38-42(28)21-24-5-3-6-26(36-24)23-9-10-23/h3-8,11-12,19-20,22-23H,9-10,13-18,21H2,1-2H3,(H,37,43)
InChIKeyLDWRQZVKFQADNM-UHFFFAOYSA-N
MW596.71 g/mol
LogP4.80
Rot. Bonds10

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

N-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-3-fluoroindazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 57384598) 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]-3-fluoroindazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-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-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID57384598
Molecular FormulaC33H37FN8O2
Molecular Weight596.71 g/mol
Exact Mass596.30
IUPAC NameN-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-3-fluoroindazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)N1CCN(CCOc2ccn3c(C(=O)Nc4cccc5c4c(F)nn5Cc4cccc(C5CC5)n4)cnc3c2)CC1
InChIInChI=1S/C33H37FN8O2/c1-22(2)40-15-13-39(14-16-40)17-18-44-25-11-12-41-29(20-35-30(41)19-25)33(43)37-27-7-4-8-28-31(27)32(34)38-42(28)21-24-5-3-6-26(36-24)23-9-10-23/h3-8,11-12,19-20,22-23H,9-10,13-18,21H2,1-2H3,(H,37,43)
InChIKeyLDWRQZVKFQADNM-UHFFFAOYSA-N
XLogP4.80
TPSA92.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.71
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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-(4-propan-2-ylpiperazin-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-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 57384598) is N-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-3-fluoroindazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-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-(4-propan-2-ylpiperazin-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-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is CC(C)N1CCN(CCOc2ccn3c(C(=O)Nc4cccc5c4c(F)nn5Cc4cccc(C5CC5)n4)cnc3c2)CC1.
What is the InChIKey of N-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-3-fluoroindazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is LDWRQZVKFQADNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37FN8O2/c1-22(2)40-15-13-39(14-16-40)17-18-44-25-11-12-41-29(20-35-30(41)19-25)33(43)37-27-7-4-8-28-31(27)32(34)38-42(28)21-24-5-3-6-26(36-24)23-9-10-23/h3-8,11-12,19-20,22-23H,9-10,13-18,21H2,1-2H3,(H,37,43).
What are the key properties of N-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-3-fluoroindazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
N-[1-[(6-cyclopropyl-2-pyridinyl)methyl]-3-fluoroindazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 596.71 g/mol, XLogP of 4.80, 10 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-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 57384598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).