7-[[6-(2-cyclopropylpyrimidin-5-yl)oxy-3-pyridinyl]methylamino]-3,4-dimethyl-1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one

C24H26N8O2 — CID 167053343

IUPAC7-[[6-(2-cyclopropylpyrimidin-5-yl)oxy-3-pyridinyl]methylamino]-3,4-dimethyl-1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
SMILESCC1C(=O)N2CCCc3nc(NCc4ccc(Oc5cnc(C6CC6)nc5)nc4)nc(c32)N1C
InChIInChI=1S/C24H26N8O2/c1-14-23(33)32-9-3-4-18-20(32)22(31(14)2)30-24(29-18)28-11-15-5-8-19(25-10-15)34-17-12-26-21(27-13-17)16-6-7-16/h5,8,10,12-14,16H,3-4,6-7,9,11H2,1-2H3,(H,28,29,30)
InChIKeyPUPDGTSBONVWIE-UHFFFAOYSA-N
MW458.53 g/mol
LogP3.06
Rot. Bonds6

About 7-[[6-(2-cyclopropylpyrimidin-5-yl)oxy-3-pyridinyl]methylamino]-3,4-dimethyl-1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one

7-[[6-(2-cyclopropylpyrimidin-5-yl)oxy-3-pyridinyl]methylamino]-3,4-dimethyl-1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one (PubChem CID 167053343) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is 7-[[6-(2-cyclopropylpyrimidin-5-yl)oxy-3-pyridinyl]methylamino]-3,4-dimethyl-1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one.

Molecular Properties

Compound Name7-[[6-(2-cyclopropylpyrimidin-5-yl)oxy-3-pyridinyl]methylamino]-3,4-dimethyl-1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
PubChem CID167053343
Molecular FormulaC24H26N8O2
Molecular Weight458.53 g/mol
Exact Mass458.22
IUPAC Name7-[[6-(2-cyclopropylpyrimidin-5-yl)oxy-3-pyridinyl]methylamino]-3,4-dimethyl-1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
SMILESCC1C(=O)N2CCCc3nc(NCc4ccc(Oc5cnc(C6CC6)nc5)nc4)nc(c32)N1C
InChIInChI=1S/C24H26N8O2/c1-14-23(33)32-9-3-4-18-20(32)22(31(14)2)30-24(29-18)28-11-15-5-8-19(25-10-15)34-17-12-26-21(27-13-17)16-6-7-16/h5,8,10,12-14,16H,3-4,6-7,9,11H2,1-2H3,(H,28,29,30)
InChIKeyPUPDGTSBONVWIE-UHFFFAOYSA-N
XLogP3.06
TPSA109.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[[6-(2-cyclopropylpyrimidin-5-yl)oxy-3-pyridinyl]methylamino]-3,4-dimethyl-1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one 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

7-[[6-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-pyridinyl]methylamino]-3,4-dimethyl-1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 170201087
(3R)-4-methyl-3-(2,2,2-trifluoroethyl)-7-[[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methylamino]-1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 167053130
(3S)-7-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methylamino]-3,4-dimethyl-1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 167052915
(3R)-3,4-dimethyl-7-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methylamino]-1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 163272449
(3R)-4-methyl-7-[[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methylamino]spiro[1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-3,3'-oxolane]-2-one
CID 167053039
(3S)-3-methyl-4-(trideuteriomethyl)-7-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methylamino]-1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 170529366
4-(methylamino)-2-[[6-[2-(trifluoromethyl)pyrimidin-5-yl]oxy-3-pyridinyl]methylamino]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidine-5-carbaldehyde
CID 170202659
(3S)-3-(hydroxymethyl)-3,4-dimethyl-7-[[6-[1-(oxolan-3-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-pyridinyl]methylamino]-1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 167053281
(3R)-4-methyl-N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methyl]spiro[1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-3,3'-oxolane]-7-amine
CID 167053045
(3S)-3,4-dimethyl-7-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methylamino]spiro[1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-11,1'-cyclopropane]-2-one
CID 167053215
(14S)-7-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methylamino]-1,6,8,10-tetrazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-trien-15-one
CID 167053003
sulfane;(7S)-4,7,8-trimethyl-2-[[4-[(6-propan-2-yloxy-3-pyridinyl)methoxy]phenyl]methylamino]-5,7-dihydropteridin-6-one
CID 157235919

Frequently Asked Questions

What is the IUPAC name of 7-[[6-(2-cyclopropylpyrimidin-5-yl)oxy-3-pyridinyl]methylamino]-3,4-dimethyl-1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one?
The IUPAC name of 7-[[6-(2-cyclopropylpyrimidin-5-yl)oxy-3-pyridinyl]methylamino]-3,4-dimethyl-1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one (CID 167053343) is 7-[[6-(2-cyclopropylpyrimidin-5-yl)oxy-3-pyridinyl]methylamino]-3,4-dimethyl-1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one.
What is the SMILES notation for 7-[[6-(2-cyclopropylpyrimidin-5-yl)oxy-3-pyridinyl]methylamino]-3,4-dimethyl-1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one?
The canonical SMILES for 7-[[6-(2-cyclopropylpyrimidin-5-yl)oxy-3-pyridinyl]methylamino]-3,4-dimethyl-1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one is CC1C(=O)N2CCCc3nc(NCc4ccc(Oc5cnc(C6CC6)nc5)nc4)nc(c32)N1C.
What is the InChIKey of 7-[[6-(2-cyclopropylpyrimidin-5-yl)oxy-3-pyridinyl]methylamino]-3,4-dimethyl-1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one?
The InChIKey is PUPDGTSBONVWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2/c1-14-23(33)32-9-3-4-18-20(32)22(31(14)2)30-24(29-18)28-11-15-5-8-19(25-10-15)34-17-12-26-21(27-13-17)16-6-7-16/h5,8,10,12-14,16H,3-4,6-7,9,11H2,1-2H3,(H,28,29,30).
What are the key properties of 7-[[6-(2-cyclopropylpyrimidin-5-yl)oxy-3-pyridinyl]methylamino]-3,4-dimethyl-1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one?
7-[[6-(2-cyclopropylpyrimidin-5-yl)oxy-3-pyridinyl]methylamino]-3,4-dimethyl-1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one has a molecular weight of 458.53 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-(2-cyclopropylpyrimidin-5-yl)oxy-3-pyridinyl]methylamino]-3,4-dimethyl-1,4,6,8-tetrazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one is sourced from PubChem (CID 167053343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).