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

C32H38N8O2 — CID 57385609

IUPAC7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(6-ethyl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1cccc(Cn2nc(C)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)[C@@H](C)C6)ccn45)cccc32)n1
InChIInChI=1S/C32H38N8O2/c1-5-24-8-6-9-25(34-24)21-40-28-11-7-10-27(31(28)23(3)36-40)35-32(41)29-19-33-30-18-26(12-13-39(29)30)42-17-16-38-15-14-37(4)22(2)20-38/h6-13,18-19,22H,5,14-17,20-21H2,1-4H3,(H,35,41)/t22-/m0/s1
InChIKeySPRGFVRYADPWAE-QFIPXVFZSA-N
MW566.71 g/mol
LogP4.27
Rot. Bonds9

About 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(6-ethyl-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-[(6-ethyl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 57385609) 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-[(6-ethyl-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-[(6-ethyl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID57385609
Molecular FormulaC32H38N8O2
Molecular Weight566.71 g/mol
Exact Mass566.31
IUPAC Name7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(6-ethyl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1cccc(Cn2nc(C)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)[C@@H](C)C6)ccn45)cccc32)n1
InChIInChI=1S/C32H38N8O2/c1-5-24-8-6-9-25(34-24)21-40-28-11-7-10-27(31(28)23(3)36-40)35-32(41)29-19-33-30-18-26(12-13-39(29)30)42-17-16-38-15-14-37(4)22(2)20-38/h6-13,18-19,22H,5,14-17,20-21H2,1-4H3,(H,35,41)/t22-/m0/s1
InChIKeySPRGFVRYADPWAE-QFIPXVFZSA-N
XLogP4.27
TPSA92.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.71
LogP ≤ 54.27
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-[(6-ethyl-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-[(6-ethyl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 57385609) is 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(6-ethyl-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-[(6-ethyl-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-[(6-ethyl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1cccc(Cn2nc(C)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)[C@@H](C)C6)ccn45)cccc32)n1.
What is the InChIKey of 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(6-ethyl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is SPRGFVRYADPWAE-QFIPXVFZSA-N. The full InChI is InChI=1S/C32H38N8O2/c1-5-24-8-6-9-25(34-24)21-40-28-11-7-10-27(31(28)23(3)36-40)35-32(41)29-19-33-30-18-26(12-13-39(29)30)42-17-16-38-15-14-37(4)22(2)20-38/h6-13,18-19,22H,5,14-17,20-21H2,1-4H3,(H,35,41)/t22-/m0/s1.
What are the key properties of 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(6-ethyl-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-[(6-ethyl-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 4.27, 9 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-[(6-ethyl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 57385609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).