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

C22H20N6 — CID 167269729

IUPAC(5R)-5-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCn1cc(-c2n[nH]c3ccc(N[C@@H]4CCCc5cc(C#N)ccc54)cc23)cn1
InChIInChI=1S/C22H20N6/c1-28-13-16(12-24-28)22-19-10-17(6-8-21(19)26-27-22)25-20-4-2-3-15-9-14(11-23)5-7-18(15)20/h5-10,12-13,20,25H,2-4H2,1H3,(H,26,27)/t20-/m1/s1
InChIKeyFTBZYYASIWGXBA-HXUWFJFHSA-N
MW368.44 g/mol
LogP4.32
Rot. Bonds3

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

(5R)-5-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 167269729) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is (5R)-5-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name(5R)-5-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID167269729
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC Name(5R)-5-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCn1cc(-c2n[nH]c3ccc(N[C@@H]4CCCc5cc(C#N)ccc54)cc23)cn1
InChIInChI=1S/C22H20N6/c1-28-13-16(12-24-28)22-19-10-17(6-8-21(19)26-27-22)25-20-4-2-3-15-9-14(11-23)5-7-18(15)20/h5-10,12-13,20,25H,2-4H2,1H3,(H,26,27)/t20-/m1/s1
InChIKeyFTBZYYASIWGXBA-HXUWFJFHSA-N
XLogP4.32
TPSA82.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of (5R)-5-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 167269729) is (5R)-5-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for (5R)-5-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for (5R)-5-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is Cn1cc(-c2n[nH]c3ccc(N[C@@H]4CCCc5cc(C#N)ccc54)cc23)cn1.
What is the InChIKey of (5R)-5-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is FTBZYYASIWGXBA-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H20N6/c1-28-13-16(12-24-28)22-19-10-17(6-8-21(19)26-27-22)25-20-4-2-3-15-9-14(11-23)5-7-18(15)20/h5-10,12-13,20,25H,2-4H2,1H3,(H,26,27)/t20-/m1/s1.
What are the key properties of (5R)-5-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
(5R)-5-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 368.44 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 167269729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).