13-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-6-[[(2S)-oxolan-2-yl]methylamino]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide

C23H27N5O4 — CID 92560454

IUPAC13-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-6-[[(2S)-oxolan-2-yl]methylamino]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
SMILESCc1ccc2nc3nc(NC[C@@H]4CCCO4)c(C(=O)NC[C@H]4CCCO4)cc3c(=O)n2c1
InChIInChI=1S/C23H27N5O4/c1-14-6-7-19-26-21-18(23(30)28(19)13-14)10-17(22(29)25-12-16-5-3-9-32-16)20(27-21)24-11-15-4-2-8-31-15/h6-7,10,13,15-16H,2-5,8-9,11-12H2,1H3,(H,24,27)(H,25,29)/t15-,16+/m0/s1
InChIKeyTYJAQYYIAVZDEF-JKSUJKDBSA-N
MW437.50 g/mol
LogP2.05
Rot. Bonds6

About 13-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-6-[[(2S)-oxolan-2-yl]methylamino]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide

13-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-6-[[(2S)-oxolan-2-yl]methylamino]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide (PubChem CID 92560454) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 13-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-6-[[(2S)-oxolan-2-yl]methylamino]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide.

Molecular Properties

Compound Name13-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-6-[[(2S)-oxolan-2-yl]methylamino]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
PubChem CID92560454
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name13-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-6-[[(2S)-oxolan-2-yl]methylamino]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
SMILESCc1ccc2nc3nc(NC[C@@H]4CCCO4)c(C(=O)NC[C@H]4CCCO4)cc3c(=O)n2c1
InChIInChI=1S/C23H27N5O4/c1-14-6-7-19-26-21-18(23(30)28(19)13-14)10-17(22(29)25-12-16-5-3-9-32-16)20(27-21)24-11-15-4-2-8-31-15/h6-7,10,13,15-16H,2-5,8-9,11-12H2,1H3,(H,24,27)(H,25,29)/t15-,16+/m0/s1
InChIKeyTYJAQYYIAVZDEF-JKSUJKDBSA-N
XLogP2.05
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 13-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-6-[[(2S)-oxolan-2-yl]methylamino]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide with MolForge

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Related Compounds

6-imino-13-methyl-7-[(4-methylphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3364809
7-(furan-2-ylmethyl)-6-imino-13-methyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 1077336
N,13-dimethyl-2-oxo-6-(propylamino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
CID 3165168
6-imino-13-methyl-2-oxo-7-[[(2S)-oxolan-2-yl]methyl]-N-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 92520456
2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7259023
1-[(4-methylphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 43995954
6-imino-2-oxo-N,7-bis[[(2S)-oxolan-2-yl]methyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 6554866
1,3,7-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 53007734
6-imino-11-methyl-2-oxo-N,7-bis[[(2S)-oxolan-2-yl]methyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 6549437
7-ethyl-6-imino-11-methyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 1077479
6-imino-11-methyl-2-oxo-N,7-bis(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3151316
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 3414776

Frequently Asked Questions

What is the IUPAC name of 13-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-6-[[(2S)-oxolan-2-yl]methylamino]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?
The IUPAC name of 13-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-6-[[(2S)-oxolan-2-yl]methylamino]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide (CID 92560454) is 13-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-6-[[(2S)-oxolan-2-yl]methylamino]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide.
What is the SMILES notation for 13-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-6-[[(2S)-oxolan-2-yl]methylamino]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?
The canonical SMILES for 13-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-6-[[(2S)-oxolan-2-yl]methylamino]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide is Cc1ccc2nc3nc(NC[C@@H]4CCCO4)c(C(=O)NC[C@H]4CCCO4)cc3c(=O)n2c1.
What is the InChIKey of 13-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-6-[[(2S)-oxolan-2-yl]methylamino]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?
The InChIKey is TYJAQYYIAVZDEF-JKSUJKDBSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-14-6-7-19-26-21-18(23(30)28(19)13-14)10-17(22(29)25-12-16-5-3-9-32-16)20(27-21)24-11-15-4-2-8-31-15/h6-7,10,13,15-16H,2-5,8-9,11-12H2,1H3,(H,24,27)(H,25,29)/t15-,16+/m0/s1.
What are the key properties of 13-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-6-[[(2S)-oxolan-2-yl]methylamino]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide?
13-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-6-[[(2S)-oxolan-2-yl]methylamino]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-6-[[(2S)-oxolan-2-yl]methylamino]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide is sourced from PubChem (CID 92560454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).