23-(4-methyl-5,6-dihydropyrido[3,2-d]pyrimidin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene

C32H21N5 — CID 134404190

IUPAC23-(4-methyl-5,6-dihydropyrido[3,2-d]pyrimidin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene
SMILESCc1nc(-n2c3ccccc3c3c4c5ccccc5n5c6ccccc6c(cc32)c45)nc2c1NCC=C2
InChIInChI=1S/C32H21N5/c1-18-30-23(12-8-16-33-30)35-32(34-18)37-26-15-7-3-10-20(26)28-27(37)17-22-19-9-2-5-13-24(19)36-25-14-6-4-11-21(25)29(28)31(22)36/h2-15,17,33H,16H2,1H3
InChIKeyNVBDQXNDXQHSIZ-UHFFFAOYSA-N
MW475.56 g/mol
LogP7.47
Rot. Bonds1

About 23-(4-methyl-5,6-dihydropyrido[3,2-d]pyrimidin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene

23-(4-methyl-5,6-dihydropyrido[3,2-d]pyrimidin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene (PubChem CID 134404190) has the molecular formula C32H21N5 and a molecular weight of 475.56 g/mol. Its IUPAC name is 23-(4-methyl-5,6-dihydropyrido[3,2-d]pyrimidin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene.

Molecular Properties

Compound Name23-(4-methyl-5,6-dihydropyrido[3,2-d]pyrimidin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene
PubChem CID134404190
Molecular FormulaC32H21N5
Molecular Weight475.56 g/mol
Exact Mass475.18
IUPAC Name23-(4-methyl-5,6-dihydropyrido[3,2-d]pyrimidin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene
SMILESCc1nc(-n2c3ccccc3c3c4c5ccccc5n5c6ccccc6c(cc32)c45)nc2c1NCC=C2
InChIInChI=1S/C32H21N5/c1-18-30-23(12-8-16-33-30)35-32(34-18)37-26-15-7-3-10-20(26)28-27(37)17-22-19-9-2-5-13-24(19)36-25-14-6-4-11-21(25)29(28)31(22)36/h2-15,17,33H,16H2,1H3
InChIKeyNVBDQXNDXQHSIZ-UHFFFAOYSA-N
XLogP7.47
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.56
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 23-(4-methyl-5,6-dihydropyrido[3,2-d]pyrimidin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene 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

2-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20,22,24,26,28-tetradecaen-3-yl)-5,6-dihydropyrido[3,2-d]pyrimidine-4-carbonitrile
CID 134403677
9-(4-methylpyrido[3,2-d]pyrimidin-2-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.021,26]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene
CID 130259832
27-(4-naphthalen-1-ylquinazolin-2-yl)-12,27-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2,4,6,8,10,13,15,17,19(30),20(28),21,23,25-tetradecaene
CID 130258189
9-pyrido[3,2-d]pyrimidin-2-yl-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13,15,17,20,22,24,26,28-tetradecaene
CID 130258929
13-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene
CID 130259435
13-(4-isocyanoquinazolin-2-yl)-13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaene
CID 140799304
27-[4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]-12,27-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2,4,6,8,10,13,15,17,19(30),20(28),21,23,25-tetradecaene
CID 130260128
4-carbazol-9-yl-2-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 130259399
4-carbazol-9-yl-2-[5-(4-phenylphenyl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaen-23-yl]-[1]benzofuro[2,3-d]pyrimidine
CID 138708831
3-[2-(8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaen-23-yl)pyrido[2,3-d]pyrimidin-4-yl]benzonitrile
CID 130266264
13,35-di(dibenzofuran-4-yl)-1,13,23,35-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),7,9,11,15,17,19,21,24,27(45),28(36),29,31,33,37,39,41,43-henicosaene
CID 146497228
9-[4-(4-isocyanophenyl)pyrido[2,3-d]pyrimidin-2-yl]-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13,15,17,20,22,24,26,28-tetradecaene
CID 140799368

Frequently Asked Questions

What is the IUPAC name of 23-(4-methyl-5,6-dihydropyrido[3,2-d]pyrimidin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene?
The IUPAC name of 23-(4-methyl-5,6-dihydropyrido[3,2-d]pyrimidin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene (CID 134404190) is 23-(4-methyl-5,6-dihydropyrido[3,2-d]pyrimidin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene.
What is the SMILES notation for 23-(4-methyl-5,6-dihydropyrido[3,2-d]pyrimidin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene?
The canonical SMILES for 23-(4-methyl-5,6-dihydropyrido[3,2-d]pyrimidin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene is Cc1nc(-n2c3ccccc3c3c4c5ccccc5n5c6ccccc6c(cc32)c45)nc2c1NCC=C2.
What is the InChIKey of 23-(4-methyl-5,6-dihydropyrido[3,2-d]pyrimidin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene?
The InChIKey is NVBDQXNDXQHSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N5/c1-18-30-23(12-8-16-33-30)35-32(34-18)37-26-15-7-3-10-20(26)28-27(37)17-22-19-9-2-5-13-24(19)36-25-14-6-4-11-21(25)29(28)31(22)36/h2-15,17,33H,16H2,1H3.
What are the key properties of 23-(4-methyl-5,6-dihydropyrido[3,2-d]pyrimidin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene?
23-(4-methyl-5,6-dihydropyrido[3,2-d]pyrimidin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene has a molecular weight of 475.56 g/mol, XLogP of 7.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(4-methyl-5,6-dihydropyrido[3,2-d]pyrimidin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene is sourced from PubChem (CID 134404190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).