7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C32H38N8O2 — CID 57385357

IUPAC7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(C)nc(Cn2nc(C)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)[C@@H](C)C6)ccn45)cccc32)c1
InChIInChI=1S/C32H38N8O2/c1-21-15-22(2)34-25(16-21)20-40-28-8-6-7-27(31(28)24(4)36-40)35-32(41)29-18-33-30-17-26(9-10-39(29)30)42-14-13-38-12-11-37(5)23(3)19-38/h6-10,15-18,23H,11-14,19-20H2,1-5H3,(H,35,41)/t23-/m0/s1
InChIKeyHEYKEEDRYZEHHV-QHCPKHFHSA-N
MW566.71 g/mol
LogP4.32
Rot. Bonds8

About 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 57385357) has the molecular formula C32H38N8O2 and a molecular weight of 566.71 g/mol. Its IUPAC name is 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID57385357
Molecular FormulaC32H38N8O2
Molecular Weight566.71 g/mol
Exact Mass566.31
IUPAC Name7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(C)nc(Cn2nc(C)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)[C@@H](C)C6)ccn45)cccc32)c1
InChIInChI=1S/C32H38N8O2/c1-21-15-22(2)34-25(16-21)20-40-28-8-6-7-27(31(28)24(4)36-40)35-32(41)29-18-33-30-17-26(9-10-39(29)30)42-14-13-38-12-11-37(5)23(3)19-38/h6-10,15-18,23H,11-14,19-20H2,1-5H3,(H,35,41)/t23-/m0/s1
InChIKeyHEYKEEDRYZEHHV-QHCPKHFHSA-N
XLogP4.32
TPSA92.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.71
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 57385357) is 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylindazol-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-[1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1cc(C)nc(Cn2nc(C)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)[C@@H](C)C6)ccn45)cccc32)c1.
What is the InChIKey of 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is HEYKEEDRYZEHHV-QHCPKHFHSA-N. The full InChI is InChI=1S/C32H38N8O2/c1-21-15-22(2)34-25(16-21)20-40-28-8-6-7-27(31(28)24(4)36-40)35-32(41)29-18-33-30-17-26(9-10-39(29)30)42-14-13-38-12-11-37(5)23(3)19-38/h6-10,15-18,23H,11-14,19-20H2,1-5H3,(H,35,41)/t23-/m0/s1.
What are the key properties of 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 566.71 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(4,6-dimethyl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 57385357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).