N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-piperazin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide

C31H34N8O2 — CID 67259338

IUPACN-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-piperazin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCNCC6)ccn45)cccc32)n1
InChIInChI=1S/C31H34N8O2/c1-21-4-2-5-23(34-21)20-39-26-7-3-6-25(29(26)30(36-39)22-8-9-22)35-31(40)27-19-33-28-18-24(10-13-38(27)28)41-17-16-37-14-11-32-12-15-37/h2-7,10,13,18-19,22,32H,8-9,11-12,14-17,20H2,1H3,(H,35,40)
InChIKeyCAXKGVJOTNGAST-UHFFFAOYSA-N
MW550.67 g/mol
LogP3.85
Rot. Bonds9

About N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-piperazin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide

N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-piperazin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67259338) has the molecular formula C31H34N8O2 and a molecular weight of 550.67 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-piperazin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-piperazin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67259338
Molecular FormulaC31H34N8O2
Molecular Weight550.67 g/mol
Exact Mass550.28
IUPAC NameN-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-piperazin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCNCC6)ccn45)cccc32)n1
InChIInChI=1S/C31H34N8O2/c1-21-4-2-5-23(34-21)20-39-26-7-3-6-25(29(26)30(36-39)22-8-9-22)35-31(40)27-19-33-28-18-24(10-13-38(27)28)41-17-16-37-14-11-32-12-15-37/h2-7,10,13,18-19,22,32H,8-9,11-12,14-17,20H2,1H3,(H,35,40)
InChIKeyCAXKGVJOTNGAST-UHFFFAOYSA-N
XLogP3.85
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.67
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-piperazin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-piperazin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide (CID 67259338) is N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-piperazin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-piperazin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-piperazin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide is Cc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCNCC6)ccn45)cccc32)n1.
What is the InChIKey of N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-piperazin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CAXKGVJOTNGAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N8O2/c1-21-4-2-5-23(34-21)20-39-26-7-3-6-25(29(26)30(36-39)22-8-9-22)35-31(40)27-19-33-28-18-24(10-13-38(27)28)41-17-16-37-14-11-32-12-15-37/h2-7,10,13,18-19,22,32H,8-9,11-12,14-17,20H2,1H3,(H,35,40).
What are the key properties of N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-piperazin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-piperazin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 550.67 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-piperazin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67259338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).