16-hydroxy-9-methyl-N-propan-2-yl-6,7-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),5,13(18),14,16-pentaene-5-carboxamide

C23H29N3O2 — CID 67349902

IUPAC16-hydroxy-9-methyl-N-propan-2-yl-6,7-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),5,13(18),14,16-pentaene-5-carboxamide
SMILESCC(C)NC(=O)c1n[nH]c2c1CC1C3CCc4cc(O)ccc4C3CCC21C
InChIInChI=1S/C23H29N3O2/c1-12(2)24-22(28)20-18-11-19-17-6-4-13-10-14(27)5-7-15(13)16(17)8-9-23(19,3)21(18)26-25-20/h5,7,10,12,16-17,19,27H,4,6,8-9,11H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyRWZNAPCKZSTAJD-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.82
Rot. Bonds2

About 16-hydroxy-9-methyl-N-propan-2-yl-6,7-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),5,13(18),14,16-pentaene-5-carboxamide

16-hydroxy-9-methyl-N-propan-2-yl-6,7-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),5,13(18),14,16-pentaene-5-carboxamide (PubChem CID 67349902) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 16-hydroxy-9-methyl-N-propan-2-yl-6,7-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),5,13(18),14,16-pentaene-5-carboxamide.

Molecular Properties

Compound Name16-hydroxy-9-methyl-N-propan-2-yl-6,7-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),5,13(18),14,16-pentaene-5-carboxamide
PubChem CID67349902
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name16-hydroxy-9-methyl-N-propan-2-yl-6,7-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),5,13(18),14,16-pentaene-5-carboxamide
SMILESCC(C)NC(=O)c1n[nH]c2c1CC1C3CCc4cc(O)ccc4C3CCC21C
InChIInChI=1S/C23H29N3O2/c1-12(2)24-22(28)20-18-11-19-17-6-4-13-10-14(27)5-7-15(13)16(17)8-9-23(19,3)21(18)26-25-20/h5,7,10,12,16-17,19,27H,4,6,8-9,11H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyRWZNAPCKZSTAJD-UHFFFAOYSA-N
XLogP3.82
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 16-hydroxy-9-methyl-N-propan-2-yl-6,7-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),5,13(18),14,16-pentaene-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S,9S,12S)-16-hydroxy-9-methyl-6,7-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),13(18),14,16-tetraen-5-one
CID 11638161
(1R,2S,9S,12S)-5-(hydroxymethyl)-9-methyl-6,7-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4,7,13(18),14,16-pentaen-16-ol
CID 11638403
3-hydroxy-13-methyl-16-(2-methylpropylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
CID 72983285
actinium;13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
CID 22950890
3-hydroxy-N,13-dimethyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-17-carboxamide
CID 59961526
(8S)-15-hydroxy-8-methyltetracyclo[9.8.0.02,8.012,17]nonadeca-12(17),13,15-trien-7-one
CID 58592182
ethane;(14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 145187135
methyl (13S)-3-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-16-carboxylate
CID 58621961
2-[(E)-[(8S,9R,13R,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]amino]oxyacetic acid
CID 98083554
sodium;hydride;(8S,9R,13S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 173174187
(8R,9S,13S,14S)-16,16-dideuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
CID 22967916
(13S)-3-hydroxy-13-methyl-16-(pyridin-4-ylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
CID 90737504

Frequently Asked Questions

What is the IUPAC name of 16-hydroxy-9-methyl-N-propan-2-yl-6,7-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),5,13(18),14,16-pentaene-5-carboxamide?
The IUPAC name of 16-hydroxy-9-methyl-N-propan-2-yl-6,7-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),5,13(18),14,16-pentaene-5-carboxamide (CID 67349902) is 16-hydroxy-9-methyl-N-propan-2-yl-6,7-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),5,13(18),14,16-pentaene-5-carboxamide.
What is the SMILES notation for 16-hydroxy-9-methyl-N-propan-2-yl-6,7-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),5,13(18),14,16-pentaene-5-carboxamide?
The canonical SMILES for 16-hydroxy-9-methyl-N-propan-2-yl-6,7-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),5,13(18),14,16-pentaene-5-carboxamide is CC(C)NC(=O)c1n[nH]c2c1CC1C3CCc4cc(O)ccc4C3CCC21C.
What is the InChIKey of 16-hydroxy-9-methyl-N-propan-2-yl-6,7-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),5,13(18),14,16-pentaene-5-carboxamide?
The InChIKey is RWZNAPCKZSTAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-12(2)24-22(28)20-18-11-19-17-6-4-13-10-14(27)5-7-15(13)16(17)8-9-23(19,3)21(18)26-25-20/h5,7,10,12,16-17,19,27H,4,6,8-9,11H2,1-3H3,(H,24,28)(H,25,26).
What are the key properties of 16-hydroxy-9-methyl-N-propan-2-yl-6,7-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),5,13(18),14,16-pentaene-5-carboxamide?
16-hydroxy-9-methyl-N-propan-2-yl-6,7-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),5,13(18),14,16-pentaene-5-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-hydroxy-9-methyl-N-propan-2-yl-6,7-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),5,13(18),14,16-pentaene-5-carboxamide is sourced from PubChem (CID 67349902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).