4-hydroxy-N-[2-[(1R,13S)-3-methyl-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]imidazo[1,2-a]pyridin-6-yl]benzamide

C29H22N4O4 — CID 91754535

IUPAC4-hydroxy-N-[2-[(1R,13S)-3-methyl-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]imidazo[1,2-a]pyridin-6-yl]benzamide
SMILESCc1cccc2c1[C@@]13C[C@@H]1CN(C(=O)c1cn4cc(NC(=O)c5ccc(O)cc5)ccc4n1)C3=CC2=O
InChIInChI=1S/C29H22N4O4/c1-16-3-2-4-21-23(35)11-24-29(26(16)21)12-18(29)13-33(24)28(37)22-15-32-14-19(7-10-25(32)31-22)30-27(36)17-5-8-20(34)9-6-17/h2-11,14-15,18,34H,12-13H2,1H3,(H,30,36)/t18-,29+/m1/s1
InChIKeyMWZTVLNYXAKUKY-LBEKAKSKSA-N
MW490.52 g/mol
LogP4.09
Rot. Bonds3

About 4-hydroxy-N-[2-[(1R,13S)-3-methyl-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]imidazo[1,2-a]pyridin-6-yl]benzamide

4-hydroxy-N-[2-[(1R,13S)-3-methyl-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]imidazo[1,2-a]pyridin-6-yl]benzamide (PubChem CID 91754535) has the molecular formula C29H22N4O4 and a molecular weight of 490.52 g/mol. Its IUPAC name is 4-hydroxy-N-[2-[(1R,13S)-3-methyl-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]imidazo[1,2-a]pyridin-6-yl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-[(1R,13S)-3-methyl-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]imidazo[1,2-a]pyridin-6-yl]benzamide
PubChem CID91754535
Molecular FormulaC29H22N4O4
Molecular Weight490.52 g/mol
Exact Mass490.16
IUPAC Name4-hydroxy-N-[2-[(1R,13S)-3-methyl-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]imidazo[1,2-a]pyridin-6-yl]benzamide
SMILESCc1cccc2c1[C@@]13C[C@@H]1CN(C(=O)c1cn4cc(NC(=O)c5ccc(O)cc5)ccc4n1)C3=CC2=O
InChIInChI=1S/C29H22N4O4/c1-16-3-2-4-21-23(35)11-24-29(26(16)21)12-18(29)13-33(24)28(37)22-15-32-14-19(7-10-25(32)31-22)30-27(36)17-5-8-20(34)9-6-17/h2-11,14-15,18,34H,12-13H2,1H3,(H,30,36)/t18-,29+/m1/s1
InChIKeyMWZTVLNYXAKUKY-LBEKAKSKSA-N
XLogP4.09
TPSA104.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-[(1R,13S)-3-methyl-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]imidazo[1,2-a]pyridin-6-yl]benzamide?
The IUPAC name of 4-hydroxy-N-[2-[(1R,13S)-3-methyl-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]imidazo[1,2-a]pyridin-6-yl]benzamide (CID 91754535) is 4-hydroxy-N-[2-[(1R,13S)-3-methyl-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]imidazo[1,2-a]pyridin-6-yl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[2-[(1R,13S)-3-methyl-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]imidazo[1,2-a]pyridin-6-yl]benzamide?
The canonical SMILES for 4-hydroxy-N-[2-[(1R,13S)-3-methyl-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]imidazo[1,2-a]pyridin-6-yl]benzamide is Cc1cccc2c1[C@@]13C[C@@H]1CN(C(=O)c1cn4cc(NC(=O)c5ccc(O)cc5)ccc4n1)C3=CC2=O.
What is the InChIKey of 4-hydroxy-N-[2-[(1R,13S)-3-methyl-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]imidazo[1,2-a]pyridin-6-yl]benzamide?
The InChIKey is MWZTVLNYXAKUKY-LBEKAKSKSA-N. The full InChI is InChI=1S/C29H22N4O4/c1-16-3-2-4-21-23(35)11-24-29(26(16)21)12-18(29)13-33(24)28(37)22-15-32-14-19(7-10-25(32)31-22)30-27(36)17-5-8-20(34)9-6-17/h2-11,14-15,18,34H,12-13H2,1H3,(H,30,36)/t18-,29+/m1/s1.
What are the key properties of 4-hydroxy-N-[2-[(1R,13S)-3-methyl-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]imidazo[1,2-a]pyridin-6-yl]benzamide?
4-hydroxy-N-[2-[(1R,13S)-3-methyl-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]imidazo[1,2-a]pyridin-6-yl]benzamide has a molecular weight of 490.52 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-[(1R,13S)-3-methyl-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]imidazo[1,2-a]pyridin-6-yl]benzamide is sourced from PubChem (CID 91754535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).