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

C25H26N6O2S — CID 170246897

IUPAC5-[(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
SMILESNc1n[nH]c2ccc([C@@H]3Nc4ccc5c(cnn5S(=O)(=O)C5CC5)c4[C@H]4[C@@H]5CC[C@@H](C5)[C@H]43)cc12
InChIInChI=1S/C25H26N6O2S/c26-25-16-10-14(3-6-18(16)29-30-25)24-22-13-2-1-12(9-13)21(22)23-17-11-27-31(34(32,33)15-4-5-15)20(17)8-7-19(23)28-24/h3,6-8,10-13,15,21-22,24,28H,1-2,4-5,9H2,(H3,26,29,30)/t12-,13+,21+,22-,24+/m1/s1
InChIKeyKXEYHJGIQRGONK-KIPCZWMGSA-N
MW474.59 g/mol
LogP4.13
Rot. Bonds3

About 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

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 (PubChem CID 170246897) has the molecular formula C25H26N6O2S and a molecular weight of 474.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[(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
PubChem CID170246897
Molecular FormulaC25H26N6O2S
Molecular Weight474.59 g/mol
Exact Mass474.18
IUPAC Name5-[(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
SMILESNc1n[nH]c2ccc([C@@H]3Nc4ccc5c(cnn5S(=O)(=O)C5CC5)c4[C@H]4[C@@H]5CC[C@@H](C5)[C@H]43)cc12
InChIInChI=1S/C25H26N6O2S/c26-25-16-10-14(3-6-18(16)29-30-25)24-22-13-2-1-12(9-13)21(22)23-17-11-27-31(34(32,33)15-4-5-15)20(17)8-7-19(23)28-24/h3,6-8,10-13,15,21-22,24,28H,1-2,4-5,9H2,(H3,26,29,30)/t12-,13+,21+,22-,24+/m1/s1
InChIKeyKXEYHJGIQRGONK-KIPCZWMGSA-N
XLogP4.13
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 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

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
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
(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
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
2-[(2S,13R,14R)-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-tetraen-7-yl]ethanol
CID 169279412
5-[(2S,13R,14R)-10-fluoro-12-methylsulfonyl-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 169279500
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
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
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
3-fluoro-4-[(2S,13R,14R,15S)-6,7,12-triazapentacyclo[13.2.1.02,14.03,11.04,8]octadeca-3(11),4(8),5,9-tetraen-13-yl]phenol
CID 169279591
3-fluoro-4-(6,7,12-triazapentacyclo[13.2.1.02,14.03,11.04,8]octadeca-3(11),4(8),5,9-tetraen-13-yl)phenol
CID 169279380
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1n[nH]c2ccc([C@@H]3Nc4ccc5c(cnn5S(=O)(=O)C5CC5)c4[C@H]4[C@@H]5CC[C@@H](C5)[C@H]43)cc12.
What is the InChIKey of 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?
The InChIKey is KXEYHJGIQRGONK-KIPCZWMGSA-N. The full InChI is InChI=1S/C25H26N6O2S/c26-25-16-10-14(3-6-18(16)29-30-25)24-22-13-2-1-12(9-13)21(22)23-17-11-27-31(34(32,33)15-4-5-15)20(17)8-7-19(23)28-24/h3,6-8,10-13,15,21-22,24,28H,1-2,4-5,9H2,(H3,26,29,30)/t12-,13+,21+,22-,24+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 474.59 g/mol, XLogP of 4.13, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170246897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).