6-methyl-15-[3-methyl-2-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-11-one

C30H24N4O — CID 59966354

IUPAC6-methyl-15-[3-methyl-2-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-11-one
SMILESCc1ccc(N2N=C(c3ccc4c(=O)n5c6ccc(C)cc6nc5c5cccc3c45)CC2C)cc1
InChIInChI=1S/C30H24N4O/c1-17-7-10-20(11-8-17)34-19(3)16-25(32-34)21-12-13-24-28-22(21)5-4-6-23(28)29-31-26-15-18(2)9-14-27(26)33(29)30(24)35/h4-15,19H,16H2,1-3H3
InChIKeyUENWYQLNPSUHFG-UHFFFAOYSA-N
MW456.55 g/mol
LogP6.21
Rot. Bonds2

About 6-methyl-15-[3-methyl-2-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-11-one

6-methyl-15-[3-methyl-2-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-11-one (PubChem CID 59966354) has the molecular formula C30H24N4O and a molecular weight of 456.55 g/mol. Its IUPAC name is 6-methyl-15-[3-methyl-2-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-11-one.

Molecular Properties

Compound Name6-methyl-15-[3-methyl-2-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-11-one
PubChem CID59966354
Molecular FormulaC30H24N4O
Molecular Weight456.55 g/mol
Exact Mass456.20
IUPAC Name6-methyl-15-[3-methyl-2-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-11-one
SMILESCc1ccc(N2N=C(c3ccc4c(=O)n5c6ccc(C)cc6nc5c5cccc3c45)CC2C)cc1
InChIInChI=1S/C30H24N4O/c1-17-7-10-20(11-8-17)34-19(3)16-25(32-34)21-12-13-24-28-22(21)5-4-6-23(28)29-31-26-15-18(2)9-14-27(26)33(29)30(24)35/h4-15,19H,16H2,1-3H3
InChIKeyUENWYQLNPSUHFG-UHFFFAOYSA-N
XLogP6.21
TPSA49.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methyl-15-[3-methyl-2-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-11-one with MolForge

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Related Compounds

15-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one
CID 27153965
6-methyl-17-(methylamino)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4(9),5,7,12,14,16,18-nonaen-11-one
CID 71052683
15-[(3R)-3-(4-methoxyphenyl)-2-naphthalen-2-yl-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one
CID 98126124
6-methyl-17-[3-(trifluoromethyl)phenyl]-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2,4(9),5,7,12,14,19(23),20-nonaene-11,16,18-trione
CID 21204330
29-methoxy-10-methyl-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),24,26(31),27,29,34,39-octadecaene-15,33-dione
CID 58185794
10,28-difluoro-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8(13),9,11,16,18,20(37),21,23(38),24,26(31),27,29,34,39-octadecaene-15,33-dione
CID 59348151
6,7,20,21-tetramethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione
CID 146510594
25-hydroxy-6,7,20,21-tetramethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(28),2,4(9),5,7,12(29),13,15(30),16,18(23),19,21,26-tridecaen-11-one
CID 170077465
17-bromo-6-naphthalen-2-yl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4(9),5,7,12,14,16,18-nonaen-11-one
CID 71114174
6-[(6-methyl-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4(9),5,7,12,14,16,18-nonaen-17-yl)amino]hexyl prop-2-enoate
CID 11691000
15-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one
CID 21239781
5-[(6-methyl-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4(9),5,7,12,14,16,18-nonaen-17-yl)amino]pentyl 2-methylprop-2-enoate
CID 11669647

Frequently Asked Questions

What is the IUPAC name of 6-methyl-15-[3-methyl-2-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-11-one?
The IUPAC name of 6-methyl-15-[3-methyl-2-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-11-one (CID 59966354) is 6-methyl-15-[3-methyl-2-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-11-one.
What is the SMILES notation for 6-methyl-15-[3-methyl-2-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-11-one?
The canonical SMILES for 6-methyl-15-[3-methyl-2-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-11-one is Cc1ccc(N2N=C(c3ccc4c(=O)n5c6ccc(C)cc6nc5c5cccc3c45)CC2C)cc1.
What is the InChIKey of 6-methyl-15-[3-methyl-2-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-11-one?
The InChIKey is UENWYQLNPSUHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O/c1-17-7-10-20(11-8-17)34-19(3)16-25(32-34)21-12-13-24-28-22(21)5-4-6-23(28)29-31-26-15-18(2)9-14-27(26)33(29)30(24)35/h4-15,19H,16H2,1-3H3.
What are the key properties of 6-methyl-15-[3-methyl-2-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-11-one?
6-methyl-15-[3-methyl-2-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-11-one has a molecular weight of 456.55 g/mol, XLogP of 6.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-15-[3-methyl-2-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12(20),13,15,17-nonaen-11-one is sourced from PubChem (CID 59966354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).