N-[3-ethyl-1-[(1-methylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

C29H35N9O2 — CID 67260125

IUPACN-[3-ethyl-1-[(1-methylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2ccn(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C)CC5)ccn34)c12
InChIInChI=1S/C29H35N9O2/c1-4-23-28-24(6-5-7-25(28)38(33-23)20-21-8-10-35(3)32-21)31-29(39)26-19-30-27-18-22(9-11-37(26)27)40-17-16-36-14-12-34(2)13-15-36/h5-11,18-19H,4,12-17,20H2,1-3H3,(H,31,39)
InChIKeyLOEBIRUSICDDGW-UHFFFAOYSA-N
MW541.66 g/mol
LogP2.91
Rot. Bonds9

About N-[3-ethyl-1-[(1-methylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

N-[3-ethyl-1-[(1-methylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67260125) has the molecular formula C29H35N9O2 and a molecular weight of 541.66 g/mol. Its IUPAC name is N-[3-ethyl-1-[(1-methylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-ethyl-1-[(1-methylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67260125
Molecular FormulaC29H35N9O2
Molecular Weight541.66 g/mol
Exact Mass541.29
IUPAC NameN-[3-ethyl-1-[(1-methylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2ccn(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C)CC5)ccn34)c12
InChIInChI=1S/C29H35N9O2/c1-4-23-28-24(6-5-7-25(28)38(33-23)20-21-8-10-35(3)32-21)31-29(39)26-19-30-27-18-22(9-11-37(26)27)40-17-16-36-14-12-34(2)13-15-36/h5-11,18-19H,4,12-17,20H2,1-3H3,(H,31,39)
InChIKeyLOEBIRUSICDDGW-UHFFFAOYSA-N
XLogP2.91
TPSA97.75 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.66
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-1-[(1-methylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-ethyl-1-[(1-methylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 67260125) is N-[3-ethyl-1-[(1-methylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-ethyl-1-[(1-methylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-ethyl-1-[(1-methylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2ccn(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C)CC5)ccn34)c12.
What is the InChIKey of N-[3-ethyl-1-[(1-methylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is LOEBIRUSICDDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N9O2/c1-4-23-28-24(6-5-7-25(28)38(33-23)20-21-8-10-35(3)32-21)31-29(39)26-19-30-27-18-22(9-11-37(26)27)40-17-16-36-14-12-34(2)13-15-36/h5-11,18-19H,4,12-17,20H2,1-3H3,(H,31,39).
What are the key properties of N-[3-ethyl-1-[(1-methylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-ethyl-1-[(1-methylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 541.66 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-1-[(1-methylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67260125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).