(5R)-5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C23H19N5 — CID 167270356

IUPAC(5R)-5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCC[C@H]2Nc1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C23H19N5/c24-14-15-4-6-19-17(12-15)2-1-3-21(19)26-18-5-7-22-20(13-18)23(28-27-22)16-8-10-25-11-9-16/h4-13,21,26H,1-3H2,(H,27,28)/t21-/m1/s1
InChIKeyBVCZJCJOIUJKBF-OAQYLSRUSA-N
MW365.44 g/mol
LogP4.99
Rot. Bonds3

About (5R)-5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

(5R)-5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 167270356) has the molecular formula C23H19N5 and a molecular weight of 365.44 g/mol. Its IUPAC name is (5R)-5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name(5R)-5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID167270356
Molecular FormulaC23H19N5
Molecular Weight365.44 g/mol
Exact Mass365.16
IUPAC Name(5R)-5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCC[C@H]2Nc1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C23H19N5/c24-14-15-4-6-19-17(12-15)2-1-3-21(19)26-18-5-7-22-20(13-18)23(28-27-22)16-8-10-25-11-9-16/h4-13,21,26H,1-3H2,(H,27,28)/t21-/m1/s1
InChIKeyBVCZJCJOIUJKBF-OAQYLSRUSA-N
XLogP4.99
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of (5R)-5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 167270356) is (5R)-5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for (5R)-5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for (5R)-5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is N#Cc1ccc2c(c1)CCC[C@H]2Nc1ccc2[nH]nc(-c3ccncc3)c2c1.
What is the InChIKey of (5R)-5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is BVCZJCJOIUJKBF-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H19N5/c24-14-15-4-6-19-17(12-15)2-1-3-21(19)26-18-5-7-22-20(13-18)23(28-27-22)16-8-10-25-11-9-16/h4-13,21,26H,1-3H2,(H,27,28)/t21-/m1/s1.
What are the key properties of (5R)-5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
(5R)-5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 365.44 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 167270356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).