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

C30H34N8O2 — CID 67261048

IUPACN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(N5CCN(CCO)CC5)ccn34)c12
InChIInChI=1S/C30H34N8O2/c1-3-24-29-25(8-5-9-26(29)38(34-24)20-22-7-4-6-21(2)32-22)33-30(40)27-19-31-28-18-23(10-11-37(27)28)36-14-12-35(13-15-36)16-17-39/h4-11,18-19,39H,3,12-17,20H2,1-2H3,(H,33,40)
InChIKeyJFZVFMNLQNNQOS-UHFFFAOYSA-N
MW538.66 g/mol
LogP3.36
Rot. Bonds8

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

N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67261048) has the molecular formula C30H34N8O2 and a molecular weight of 538.66 g/mol. Its IUPAC name is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67261048
Molecular FormulaC30H34N8O2
Molecular Weight538.66 g/mol
Exact Mass538.28
IUPAC NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(N5CCN(CCO)CC5)ccn34)c12
InChIInChI=1S/C30H34N8O2/c1-3-24-29-25(8-5-9-26(29)38(34-24)20-22-7-4-6-21(2)32-22)33-30(40)27-19-31-28-18-23(10-11-37(27)28)36-14-12-35(13-15-36)16-17-39/h4-11,18-19,39H,3,12-17,20H2,1-2H3,(H,33,40)
InChIKeyJFZVFMNLQNNQOS-UHFFFAOYSA-N
XLogP3.36
TPSA103.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.66
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 67261048) is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(N5CCN(CCO)CC5)ccn34)c12.
What is the InChIKey of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is JFZVFMNLQNNQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N8O2/c1-3-24-29-25(8-5-9-26(29)38(34-24)20-22-7-4-6-21(2)32-22)33-30(40)27-19-31-28-18-23(10-11-37(27)28)36-14-12-35(13-15-36)16-17-39/h4-11,18-19,39H,3,12-17,20H2,1-2H3,(H,33,40).
What are the key properties of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 538.66 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[4-(2-hydroxyethyl)piperazin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67261048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).