7,10,17,20,25,27,29-heptazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(25),2(29),3,5,8,11,13,15,18,21,23-undecaene

C22H19N7 — CID 10293199

IUPAC7,10,17,20,25,27,29-heptazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(25),2(29),3,5,8,11,13,15,18,21,23-undecaene
SMILESC1=C/C2=C/N3C=CN(/C=c4/cc/c([nH]4)=C/N4C=CN(/C=C5/C=CC(=N5)C1=N2)C4)C3
InChIInChI=1S/C22H19N7/c1-2-18-12-27-8-10-29(16-27)14-20-4-6-22(25-20)21-5-3-19(24-21)13-28-9-7-26(15-28)11-17(1)23-18/h1-14,23H,15-16H2/b17-11-,18-12-,19-13-,20-14-
InChIKeyPWYORATZRNAGQR-KJHWEIRZSA-N
MW381.44 g/mol
LogP1.30
Rot. Bonds

About 7,10,17,20,25,27,29-heptazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(25),2(29),3,5,8,11,13,15,18,21,23-undecaene

7,10,17,20,25,27,29-heptazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(25),2(29),3,5,8,11,13,15,18,21,23-undecaene (PubChem CID 10293199) has the molecular formula C22H19N7 and a molecular weight of 381.44 g/mol. Its IUPAC name is 7,10,17,20,25,27,29-heptazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(25),2(29),3,5,8,11,13,15,18,21,23-undecaene.

Molecular Properties

Compound Name7,10,17,20,25,27,29-heptazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(25),2(29),3,5,8,11,13,15,18,21,23-undecaene
PubChem CID10293199
Molecular FormulaC22H19N7
Molecular Weight381.44 g/mol
Exact Mass381.17
IUPAC Name7,10,17,20,25,27,29-heptazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(25),2(29),3,5,8,11,13,15,18,21,23-undecaene
SMILESC1=C/C2=C/N3C=CN(/C=c4/cc/c([nH]4)=C/N4C=CN(/C=C5/C=CC(=N5)C1=N2)C4)C3
InChIInChI=1S/C22H19N7/c1-2-18-12-27-8-10-29(16-27)14-20-4-6-22(25-20)21-5-3-19(24-21)13-28-9-7-26(15-28)11-17(1)23-18/h1-14,23H,15-16H2/b17-11-,18-12-,19-13-,20-14-
InChIKeyPWYORATZRNAGQR-KJHWEIRZSA-N
XLogP1.30
TPSA53.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7,10,17,20,25,27,29-heptazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(25),2(29),3,5,8,11,13,15,18,21,23-undecaene with MolForge

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Related Compounds

Azaporphyrin
CID 136342648
Imidazolylporphyrin
CID 136393213
Methyl imidazolyl porphyrin
CID 168499686
(7Z,11Z,16Z)-1,3,6,18,22,23-hexazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-4,7,9,11,13(22),14,16,19-octaene
CID 9858182
1,18,22,23,24-Pentazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-2,4,6,8(23),9,11,13(22),14,16,19-decaene
CID 9922817
7,10,20,21,23-Pentazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(20),2(23),3,5,8,11,13,15(21),16,18-decaene
CID 9966065
12,15,25,26,28,29-Hexazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1,3,5(29),6,8,10,13,16,18,20,22(25),23-dodecaene
CID 10110202
1,23,27,28,29,30-Hexazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-2,4,6,8(29),9,11,13(28),14,16,18(27),19,21,24-tridecaene
CID 10178481
(2Z,6Z,12Z,16Z,21Z)-1,8,11,23,27,28,30-heptazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-2,4,6,9,12,14,16,18(27),19,21,24-undecaene
CID 10200725
1,13,16,28,32,33,35,36-Octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6(36),7,9,11,14,17,19,21,23(32),24,26,29-tetradecaene
CID 10227218
7,10,22,25,30,32,33,35-Octazaheptacyclo[25.2.1.12,5.17,10.112,15.117,20.122,25]pentatriaconta-1(30),2(35),3,5,8,11,13,15,17(32),18,20,23,26,28-tetradecaene
CID 10276217
7,10,21,24,29,31,32,34-Octazaheptacyclo[24.2.1.12,5.17,10.112,15.116,19.121,24]tetratriaconta-1(29),2(34),3,5,8,11,13,15,17,19,22,25,27-tridecaene
CID 20816054

Frequently Asked Questions

What is the IUPAC name of 7,10,17,20,25,27,29-heptazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(25),2(29),3,5,8,11,13,15,18,21,23-undecaene?
The IUPAC name of 7,10,17,20,25,27,29-heptazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(25),2(29),3,5,8,11,13,15,18,21,23-undecaene (CID 10293199) is 7,10,17,20,25,27,29-heptazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(25),2(29),3,5,8,11,13,15,18,21,23-undecaene.
What is the SMILES notation for 7,10,17,20,25,27,29-heptazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(25),2(29),3,5,8,11,13,15,18,21,23-undecaene?
The canonical SMILES for 7,10,17,20,25,27,29-heptazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(25),2(29),3,5,8,11,13,15,18,21,23-undecaene is C1=C/C2=C/N3C=CN(/C=c4/cc/c([nH]4)=C/N4C=CN(/C=C5/C=CC(=N5)C1=N2)C4)C3.
What is the InChIKey of 7,10,17,20,25,27,29-heptazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(25),2(29),3,5,8,11,13,15,18,21,23-undecaene?
The InChIKey is PWYORATZRNAGQR-KJHWEIRZSA-N. The full InChI is InChI=1S/C22H19N7/c1-2-18-12-27-8-10-29(16-27)14-20-4-6-22(25-20)21-5-3-19(24-21)13-28-9-7-26(15-28)11-17(1)23-18/h1-14,23H,15-16H2/b17-11-,18-12-,19-13-,20-14-.
What are the key properties of 7,10,17,20,25,27,29-heptazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(25),2(29),3,5,8,11,13,15,18,21,23-undecaene?
7,10,17,20,25,27,29-heptazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(25),2(29),3,5,8,11,13,15,18,21,23-undecaene has a molecular weight of 381.44 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10,17,20,25,27,29-heptazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(25),2(29),3,5,8,11,13,15,18,21,23-undecaene is sourced from PubChem (CID 10293199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).