5-[(2S,6R,7R)-3,8,13,14-tetrazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),10,12(16),14-tetraen-7-yl]-1H-indazol-3-amine

C19H19N7 — CID 169279457

IUPAC5-[(2S,6R,7R)-3,8,13,14-tetrazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),10,12(16),14-tetraen-7-yl]-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc([C@@H]3Nc4ccc5[nH]ncc5c4[C@H]4NCC[C@H]43)cc12
InChIInChI=1S/C19H19N7/c20-19-11-7-9(1-2-13(11)25-26-19)17-10-5-6-21-18(10)16-12-8-22-24-14(12)3-4-15(16)23-17/h1-4,7-8,10,17-18,21,23H,5-6H2,(H,22,24)(H3,20,25,26)/t10-,17-,18-/m0/s1
InChIKeyQLVKAQCLFCOLBN-OXNYHJJDSA-N
MW345.41 g/mol
LogP2.84
Rot. Bonds1

About 5-[(2S,6R,7R)-3,8,13,14-tetrazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),10,12(16),14-tetraen-7-yl]-1H-indazol-3-amine

5-[(2S,6R,7R)-3,8,13,14-tetrazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),10,12(16),14-tetraen-7-yl]-1H-indazol-3-amine (PubChem CID 169279457) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is 5-[(2S,6R,7R)-3,8,13,14-tetrazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),10,12(16),14-tetraen-7-yl]-1H-indazol-3-amine.

Molecular Properties

Compound Name5-[(2S,6R,7R)-3,8,13,14-tetrazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),10,12(16),14-tetraen-7-yl]-1H-indazol-3-amine
PubChem CID169279457
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name5-[(2S,6R,7R)-3,8,13,14-tetrazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),10,12(16),14-tetraen-7-yl]-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc([C@@H]3Nc4ccc5[nH]ncc5c4[C@H]4NCC[C@H]43)cc12
InChIInChI=1S/C19H19N7/c20-19-11-7-9(1-2-13(11)25-26-19)17-10-5-6-21-18(10)16-12-8-22-24-14(12)3-4-15(16)23-17/h1-4,7-8,10,17-18,21,23H,5-6H2,(H,22,24)(H3,20,25,26)/t10-,17-,18-/m0/s1
InChIKeyQLVKAQCLFCOLBN-OXNYHJJDSA-N
XLogP2.84
TPSA107.44 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 5-[(2S,6R,7R)-3,8,13,14-tetrazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),10,12(16),14-tetraen-7-yl]-1H-indazol-3-amine with MolForge

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Related Compounds

13-(1H-indazol-5-yl)-6,7,12-triazapentacyclo[13.2.1.02,14.03,11.04,8]octadeca-3(11),4(8),5,9-tetraene
CID 169279581
1-methyl-5-[(1R,2S,13R,14R)-6,7,12-triazapentacyclo[13.2.1.02,14.03,11.04,8]octadeca-3(11),4(8),5,9-tetraen-13-yl]indazol-3-amine
CID 169279424
(2S,13R,14R)-13-(1H-indazol-6-yl)-6,7,12-triazapentacyclo[13.2.1.02,14.03,11.04,8]octadeca-3(11),4(8),5,9-tetraene
CID 170247334
(1R,12S,13R)-12-(4-chlorophenyl)-5,6,11,20-tetrazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-2(10),3(7),4,8,14,16,18-heptaene
CID 66555312
(2R,13R,14S,16S,17R)-13-(2-amino-1,3-benzothiazol-6-yl)-6,7,12-triazapentacyclo[13.2.1.02,14.03,11.04,8]octadeca-3(11),4(8),5,9-tetraene-16,17-diol
CID 169279509
5-(6,7,12-triazapentacyclo[13.2.1.02,14.03,11.04,8]octadeca-3(11),4(8),5,9-tetraen-13-yl)-2,1,3-benzoxadiazole
CID 169279551
6-(6,7,12-triazapentacyclo[13.2.1.02,14.03,11.04,8]octadeca-3(11),4(8),5,9-tetraen-13-yl)-1,3-benzoxazol-2-amine
CID 169279415
5-[(1R,2S,13R,14R,15S)-7-cyclopropylsulfonyl-6,7,12-triazapentacyclo[13.2.1.02,14.03,11.04,8]octadeca-3(11),4(8),5,9-tetraen-13-yl]-1H-indazol-3-amine
CID 170246897
6-[(1R,2S,13R,14R,15R)-10-bromo-6,7,12-triazapentacyclo[13.2.1.02,14.03,11.04,8]octadeca-3,5,8,10-tetraen-13-yl]-1H-indazol-3-amine
CID 170247391
6-[(4aS,5S,11cS)-1-methylsulfonyl-2,3,4,4a,5,6,9,11c-octahydroindazolo[5,4-h][1,6]naphthyridin-5-yl]-1,3-benzothiazol-2-amine
CID 169279398
6-[(2S,13R,14R)-6,7,12-triazapentacyclo[13.2.1.02,14.03,11.04,8]octadeca-3(11),4(8),5,9-tetraen-13-yl]-1,3-benzothiazole
CID 169279607
13-[4-(trifluoromethyl)phenyl]-6,7,12-triazapentacyclo[13.2.1.02,14.03,11.04,8]octadeca-3(11),4(8),5,9-tetraene
CID 169279392

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6R,7R)-3,8,13,14-tetrazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),10,12(16),14-tetraen-7-yl]-1H-indazol-3-amine?
The IUPAC name of 5-[(2S,6R,7R)-3,8,13,14-tetrazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),10,12(16),14-tetraen-7-yl]-1H-indazol-3-amine (CID 169279457) is 5-[(2S,6R,7R)-3,8,13,14-tetrazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),10,12(16),14-tetraen-7-yl]-1H-indazol-3-amine.
What is the SMILES notation for 5-[(2S,6R,7R)-3,8,13,14-tetrazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),10,12(16),14-tetraen-7-yl]-1H-indazol-3-amine?
The canonical SMILES for 5-[(2S,6R,7R)-3,8,13,14-tetrazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),10,12(16),14-tetraen-7-yl]-1H-indazol-3-amine is Nc1n[nH]c2ccc([C@@H]3Nc4ccc5[nH]ncc5c4[C@H]4NCC[C@H]43)cc12.
What is the InChIKey of 5-[(2S,6R,7R)-3,8,13,14-tetrazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),10,12(16),14-tetraen-7-yl]-1H-indazol-3-amine?
The InChIKey is QLVKAQCLFCOLBN-OXNYHJJDSA-N. The full InChI is InChI=1S/C19H19N7/c20-19-11-7-9(1-2-13(11)25-26-19)17-10-5-6-21-18(10)16-12-8-22-24-14(12)3-4-15(16)23-17/h1-4,7-8,10,17-18,21,23H,5-6H2,(H,22,24)(H3,20,25,26)/t10-,17-,18-/m0/s1.
What are the key properties of 5-[(2S,6R,7R)-3,8,13,14-tetrazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),10,12(16),14-tetraen-7-yl]-1H-indazol-3-amine?
5-[(2S,6R,7R)-3,8,13,14-tetrazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),10,12(16),14-tetraen-7-yl]-1H-indazol-3-amine has a molecular weight of 345.41 g/mol, XLogP of 2.84, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6R,7R)-3,8,13,14-tetrazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),10,12(16),14-tetraen-7-yl]-1H-indazol-3-amine is sourced from PubChem (CID 169279457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).