17-pyrido[3,2-d]pyrimidin-2-yl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene

C31H17N5 — CID 130258602

IUPAC17-pyrido[3,2-d]pyrimidin-2-yl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene
SMILESc1cnc2cnc(-n3c4ccccc4c4cc5c6ccccc6n6c7ccccc7c(c43)c56)nc2c1
InChIInChI=1S/C31H17N5/c1-4-12-25-18(8-1)21-16-22-19-9-2-5-13-26(19)36(31-33-17-24-23(34-31)11-7-15-32-24)30(22)28-20-10-3-6-14-27(20)35(25)29(21)28/h1-17H
InChIKeyFQZKKWUBZCMAMV-UHFFFAOYSA-N
MW459.51 g/mol
LogP7.27
Rot. Bonds1

About 17-pyrido[3,2-d]pyrimidin-2-yl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene

17-pyrido[3,2-d]pyrimidin-2-yl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene (PubChem CID 130258602) has the molecular formula C31H17N5 and a molecular weight of 459.51 g/mol. Its IUPAC name is 17-pyrido[3,2-d]pyrimidin-2-yl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene.

Molecular Properties

Compound Name17-pyrido[3,2-d]pyrimidin-2-yl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene
PubChem CID130258602
Molecular FormulaC31H17N5
Molecular Weight459.51 g/mol
Exact Mass459.15
IUPAC Name17-pyrido[3,2-d]pyrimidin-2-yl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene
SMILESc1cnc2cnc(-n3c4ccccc4c4cc5c6ccccc6n6c7ccccc7c(c43)c56)nc2c1
InChIInChI=1S/C31H17N5/c1-4-12-25-18(8-1)21-16-22-19-9-2-5-13-26(19)36(31-33-17-24-23(34-31)11-7-15-32-24)30(22)28-20-10-3-6-14-27(20)35(25)29(21)28/h1-17H
InChIKeyFQZKKWUBZCMAMV-UHFFFAOYSA-N
XLogP7.27
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.51
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 17-pyrido[3,2-d]pyrimidin-2-yl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene with MolForge

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Related Compounds

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
28-quinazolin-2-yl-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene
CID 130258471
3-(4-isocyanopyrido[3,2-d]pyrimidin-2-yl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene
CID 140799334
21-phenyl-17-(4-phenylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene
CID 130258317
28-(4-isocyanopyrido[3,2-d]pyrimidin-2-yl)-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,21(29),22,24,26-tetradecaene
CID 140799371
21-(4-phenylquinazolin-2-yl)-12,21-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaene
CID 130258694
17-[4-(4-isocyanophenyl)quinazolin-2-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene
CID 140799305
21-[4-(4-phenylphenyl)quinazolin-2-yl]-12,21-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.022,27]triaconta-1(30),2,4,6,8,10,13,15,17,19,22,24,26,28-tetradecaene
CID 130259337
9-quinazolin-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 130259833
3-(4-phenylquinazolin-2-yl)-3,23-diazaoctacyclo[14.13.1.02,14.04,13.07,12.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene
CID 130259165
3-[4-(4-phenylphenyl)quinazolin-2-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaene
CID 130259598
2-(3,23-diazaoctacyclo[14.13.1.02,14.04,13.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),4,6,8,10,12,15,17,19,21,24,26,28-tetradecaen-3-yl)pyrido[2,3-d]pyrimidine-4-carbonitrile
CID 130266083

Frequently Asked Questions

What is the IUPAC name of 17-pyrido[3,2-d]pyrimidin-2-yl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene?
The IUPAC name of 17-pyrido[3,2-d]pyrimidin-2-yl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene (CID 130258602) is 17-pyrido[3,2-d]pyrimidin-2-yl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene.
What is the SMILES notation for 17-pyrido[3,2-d]pyrimidin-2-yl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene?
The canonical SMILES for 17-pyrido[3,2-d]pyrimidin-2-yl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene is c1cnc2cnc(-n3c4ccccc4c4cc5c6ccccc6n6c7ccccc7c(c43)c56)nc2c1.
What is the InChIKey of 17-pyrido[3,2-d]pyrimidin-2-yl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene?
The InChIKey is FQZKKWUBZCMAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H17N5/c1-4-12-25-18(8-1)21-16-22-19-9-2-5-13-26(19)36(31-33-17-24-23(34-31)11-7-15-32-24)30(22)28-20-10-3-6-14-27(20)35(25)29(21)28/h1-17H.
What are the key properties of 17-pyrido[3,2-d]pyrimidin-2-yl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene?
17-pyrido[3,2-d]pyrimidin-2-yl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene has a molecular weight of 459.51 g/mol, XLogP of 7.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 17-pyrido[3,2-d]pyrimidin-2-yl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaene is sourced from PubChem (CID 130258602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).