7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(5-fluoro-6-propan-2-yl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C33H39FN8O2 — CID 57385863

IUPAC7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(5-fluoro-6-propan-2-yl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nn(Cc2ccc(F)c(C(C)C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C)[C@@H](C)C5)ccn34)c12
InChIInChI=1S/C33H39FN8O2/c1-21(2)32-26(34)10-9-24(36-32)20-42-28-8-6-7-27(31(28)23(4)38-42)37-33(43)29-18-35-30-17-25(11-12-41(29)30)44-16-15-40-14-13-39(5)22(3)19-40/h6-12,17-18,21-22H,13-16,19-20H2,1-5H3,(H,37,43)/t22-/m0/s1
InChIKeyPRWSDYFNQUFMOS-QFIPXVFZSA-N
MW598.73 g/mol
LogP4.97
Rot. Bonds9

About 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(5-fluoro-6-propan-2-yl-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-[(5-fluoro-6-propan-2-yl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 57385863) has the molecular formula C33H39FN8O2 and a molecular weight of 598.73 g/mol. Its IUPAC name is 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(5-fluoro-6-propan-2-yl-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-[(5-fluoro-6-propan-2-yl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID57385863
Molecular FormulaC33H39FN8O2
Molecular Weight598.73 g/mol
Exact Mass598.32
IUPAC Name7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(5-fluoro-6-propan-2-yl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nn(Cc2ccc(F)c(C(C)C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C)[C@@H](C)C5)ccn34)c12
InChIInChI=1S/C33H39FN8O2/c1-21(2)32-26(34)10-9-24(36-32)20-42-28-8-6-7-27(31(28)23(4)38-42)37-33(43)29-18-35-30-17-25(11-12-41(29)30)44-16-15-40-14-13-39(5)22(3)19-40/h6-12,17-18,21-22H,13-16,19-20H2,1-5H3,(H,37,43)/t22-/m0/s1
InChIKeyPRWSDYFNQUFMOS-QFIPXVFZSA-N
XLogP4.97
TPSA92.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.73
LogP ≤ 54.97
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-[(5-fluoro-6-propan-2-yl-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-[(5-fluoro-6-propan-2-yl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 57385863) is 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(5-fluoro-6-propan-2-yl-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-[(5-fluoro-6-propan-2-yl-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-[(5-fluoro-6-propan-2-yl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nn(Cc2ccc(F)c(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-[1-[(5-fluoro-6-propan-2-yl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is PRWSDYFNQUFMOS-QFIPXVFZSA-N. The full InChI is InChI=1S/C33H39FN8O2/c1-21(2)32-26(34)10-9-24(36-32)20-42-28-8-6-7-27(31(28)23(4)38-42)37-33(43)29-18-35-30-17-25(11-12-41(29)30)44-16-15-40-14-13-39(5)22(3)19-40/h6-12,17-18,21-22H,13-16,19-20H2,1-5H3,(H,37,43)/t22-/m0/s1.
What are the key properties of 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[1-[(5-fluoro-6-propan-2-yl-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-[(5-fluoro-6-propan-2-yl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 598.73 g/mol, XLogP of 4.97, 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-[(5-fluoro-6-propan-2-yl-2-pyridinyl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 57385863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).