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

C29H32N8O2 — CID 57387147

IUPACN-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-piperazin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(Cn2nc(C)c3c(NC(=O)c4cnc5cc(OCCN6CCNCC6)ccn45)cccc32)n1
InChIInChI=1S/C29H32N8O2/c1-20-5-3-6-22(32-20)19-37-25-8-4-7-24(28(25)21(2)34-37)33-29(38)26-18-31-27-17-23(9-12-36(26)27)39-16-15-35-13-10-30-11-14-35/h3-9,12,17-18,30H,10-11,13-16,19H2,1-2H3,(H,33,38)
InChIKeyUVTLWGUQTAWTAJ-UHFFFAOYSA-N
MW524.63 g/mol
LogP3.28
Rot. Bonds8

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

N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-piperazin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 57387147) has the molecular formula C29H32N8O2 and a molecular weight of 524.63 g/mol. Its IUPAC name is N-[3-methyl-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-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-piperazin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID57387147
Molecular FormulaC29H32N8O2
Molecular Weight524.63 g/mol
Exact Mass524.26
IUPAC NameN-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-piperazin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(Cn2nc(C)c3c(NC(=O)c4cnc5cc(OCCN6CCNCC6)ccn45)cccc32)n1
InChIInChI=1S/C29H32N8O2/c1-20-5-3-6-22(32-20)19-37-25-8-4-7-24(28(25)21(2)34-37)33-29(38)26-18-31-27-17-23(9-12-36(26)27)39-16-15-35-13-10-30-11-14-35/h3-9,12,17-18,30H,10-11,13-16,19H2,1-2H3,(H,33,38)
InChIKeyUVTLWGUQTAWTAJ-UHFFFAOYSA-N
XLogP3.28
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.63
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-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-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-piperazin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide (CID 57387147) is N-[3-methyl-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-methyl-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-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-piperazin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide is Cc1cccc(Cn2nc(C)c3c(NC(=O)c4cnc5cc(OCCN6CCNCC6)ccn45)cccc32)n1.
What is the InChIKey of N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-piperazin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is UVTLWGUQTAWTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8O2/c1-20-5-3-6-22(32-20)19-37-25-8-4-7-24(28(25)21(2)34-37)33-29(38)26-18-31-27-17-23(9-12-36(26)27)39-16-15-35-13-10-30-11-14-35/h3-9,12,17-18,30H,10-11,13-16,19H2,1-2H3,(H,33,38).
What are the key properties of N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-piperazin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-methyl-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 524.63 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-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 57387147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).