4-(6-methoxy-13-methyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-5-methyl-1,2-dihydropyrazol-3-one

C19H17N5O3 — CID 132500190

IUPAC4-(6-methoxy-13-methyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-5-methyl-1,2-dihydropyrazol-3-one
SMILESCOc1ccc2nc3c(cc2c1)C(c1c(C)[nH][nH]c1=O)c1c(n[nH]c1C)O3
InChIInChI=1S/C19H17N5O3/c1-8-14(17(25)23-21-8)16-12-7-10-6-11(26-3)4-5-13(10)20-18(12)27-19-15(16)9(2)22-24-19/h4-7,16H,1-3H3,(H,22,24)(H2,21,23,25)
InChIKeyIAPZPHUULHPMEC-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.89
Rot. Bonds2

About 4-(6-methoxy-13-methyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-5-methyl-1,2-dihydropyrazol-3-one

4-(6-methoxy-13-methyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-5-methyl-1,2-dihydropyrazol-3-one (PubChem CID 132500190) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 4-(6-methoxy-13-methyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-5-methyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-(6-methoxy-13-methyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-5-methyl-1,2-dihydropyrazol-3-one
PubChem CID132500190
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name4-(6-methoxy-13-methyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-5-methyl-1,2-dihydropyrazol-3-one
SMILESCOc1ccc2nc3c(cc2c1)C(c1c(C)[nH][nH]c1=O)c1c(n[nH]c1C)O3
InChIInChI=1S/C19H17N5O3/c1-8-14(17(25)23-21-8)16-12-7-10-6-11(26-3)4-5-13(10)20-18(12)27-19-15(16)9(2)22-24-19/h4-7,16H,1-3H3,(H,22,24)(H2,21,23,25)
InChIKeyIAPZPHUULHPMEC-UHFFFAOYSA-N
XLogP2.89
TPSA108.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(6-methoxy-13-methyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-5-methyl-1,2-dihydropyrazol-3-one with MolForge

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Related Compounds

(4R)-4-(4-methoxyphenyl)-3-methyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine
CID 902403
4-(4-methoxyphenyl)-N,3-dimethyl-5-nitro-2,4-dihydropyrano[2,3-c]pyrazol-6-amine
CID 102138517
6-amino-4-(2,4-dimethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2832260
(4R)-6-amino-4-(2-chloro-6-ethylquinolin-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1374282
6-amino-4-(2-chloro-6-ethylquinolin-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3167678
4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-one
CID 68573583
ethane;6-methoxy-3-methyl-2H-indazole
CID 142896061
5-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 73438724
6-amino-4-(3,5-dimethoxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3156333
6-amino-4-[5-methoxy-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 177379140
2-(9-methoxy-3,3-dimethyl-1-oxo-4,12-dihydro-2H-chromeno[2,3-b]quinolin-12-yl)propanedinitrile
CID 141484310
6-methyl-8-pyridin-4-yl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,6-triene-10,12-dione
CID 171354350

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-13-methyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-5-methyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-(6-methoxy-13-methyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-5-methyl-1,2-dihydropyrazol-3-one (CID 132500190) is 4-(6-methoxy-13-methyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-5-methyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-(6-methoxy-13-methyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-5-methyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-(6-methoxy-13-methyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-5-methyl-1,2-dihydropyrazol-3-one is COc1ccc2nc3c(cc2c1)C(c1c(C)[nH][nH]c1=O)c1c(n[nH]c1C)O3.
What is the InChIKey of 4-(6-methoxy-13-methyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-5-methyl-1,2-dihydropyrazol-3-one?
The InChIKey is IAPZPHUULHPMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-8-14(17(25)23-21-8)16-12-7-10-6-11(26-3)4-5-13(10)20-18(12)27-19-15(16)9(2)22-24-19/h4-7,16H,1-3H3,(H,22,24)(H2,21,23,25).
What are the key properties of 4-(6-methoxy-13-methyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-5-methyl-1,2-dihydropyrazol-3-one?
4-(6-methoxy-13-methyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-5-methyl-1,2-dihydropyrazol-3-one has a molecular weight of 363.38 g/mol, XLogP of 2.89, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-13-methyl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(10),2,4,6,8,12,15-heptaen-11-yl)-5-methyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 132500190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).