7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C32H41N9O2 — CID 57385096

IUPAC7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nn(Cc2cc(C)n(C(C)C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C)[C@@H](C)C5)ccn34)c12
InChIInChI=1S/C32H41N9O2/c1-21(2)41-22(3)16-25(36-41)20-40-28-9-7-8-27(31(28)24(5)35-40)34-32(42)29-18-33-30-17-26(10-11-39(29)30)43-15-14-38-13-12-37(6)23(4)19-38/h7-11,16-18,21,23H,12-15,19-20H2,1-6H3,(H,34,42)/t23-/m0/s1
InChIKeyAWYVQSURUCPUTR-QHCPKHFHSA-N
MW583.74 g/mol
LogP4.39
Rot. Bonds9

About 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 57385096) has the molecular formula C32H41N9O2 and a molecular weight of 583.74 g/mol. Its IUPAC name is 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID57385096
Molecular FormulaC32H41N9O2
Molecular Weight583.74 g/mol
Exact Mass583.34
IUPAC Name7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nn(Cc2cc(C)n(C(C)C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C)[C@@H](C)C5)ccn34)c12
InChIInChI=1S/C32H41N9O2/c1-21(2)41-22(3)16-25(36-41)20-40-28-9-7-8-27(31(28)24(5)35-40)34-32(42)29-18-33-30-17-26(10-11-39(29)30)43-15-14-38-13-12-37(6)23(4)19-38/h7-11,16-18,21,23H,12-15,19-20H2,1-6H3,(H,34,42)/t23-/m0/s1
InChIKeyAWYVQSURUCPUTR-QHCPKHFHSA-N
XLogP4.39
TPSA97.75 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.74
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 57385096) is 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nn(Cc2cc(C)n(C(C)C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C)[C@@H](C)C5)ccn34)c12.
What is the InChIKey of 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is AWYVQSURUCPUTR-QHCPKHFHSA-N. The full InChI is InChI=1S/C32H41N9O2/c1-21(2)41-22(3)16-25(36-41)20-40-28-9-7-8-27(31(28)24(5)35-40)34-32(42)29-18-33-30-17-26(10-11-39(29)30)43-15-14-38-13-12-37(6)23(4)19-38/h7-11,16-18,21,23H,12-15,19-20H2,1-6H3,(H,34,42)/t23-/m0/s1.
What are the key properties of 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 583.74 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-methyl-1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 57385096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).