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

C23H22N4O — CID 159554142

IUPAC(5S)-5-[[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc2[nH]nc(C3=CCOCC3)c2c1
InChIInChI=1S/C23H22N4O/c24-14-15-4-6-19-17(12-15)2-1-3-21(19)25-18-5-7-22-20(13-18)23(27-26-22)16-8-10-28-11-9-16/h4-8,12-13,21,25H,1-3,9-11H2,(H,26,27)/t21-/m0/s1
InChIKeyMFTVTONHIBKVKK-NRFANRHFSA-N
MW370.46 g/mol
LogP4.73
Rot. Bonds3

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

(5S)-5-[[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 159554142) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is (5S)-5-[[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name(5S)-5-[[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID159554142
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name(5S)-5-[[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc2[nH]nc(C3=CCOCC3)c2c1
InChIInChI=1S/C23H22N4O/c24-14-15-4-6-19-17(12-15)2-1-3-21(19)25-18-5-7-22-20(13-18)23(27-26-22)16-8-10-28-11-9-16/h4-8,12-13,21,25H,1-3,9-11H2,(H,26,27)/t21-/m0/s1
InChIKeyMFTVTONHIBKVKK-NRFANRHFSA-N
XLogP4.73
TPSA73.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(cyclohexen-1-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 166722571
(5S)-5-[[3-[4-[hydroxy(morpholin-4-yl)methyl]phenyl]-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 166727673
5-[[3-(4-nitrophenyl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 166722544
5-[[3-(5-methyl-3-pyridinyl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 168727942
5-[[3-(1H-indol-6-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 168727901
5-[[3-(4-methylsulfonylphenyl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 168727965
5-[5-[(6-cyano-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-1H-indazol-3-yl]-2-fluorobenzoic acid
CID 168728034
3-[5-[(6-cyano-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-1H-indazol-3-yl]-N,N-dimethylbenzamide
CID 168727961
5-[[3-(2-methylindazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 166722421
(5S)-5-[(3-iodo-2H-indazol-5-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 156850650
(8R)-8-[[3-(3-methyl-1,2-thiazol-5-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 166727985
(1R)-2,2-difluoro-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]amino]-1,3-dihydroindene-5-carbonitrile
CID 163743127

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of (5S)-5-[[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 159554142) is (5S)-5-[[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for (5S)-5-[[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for (5S)-5-[[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ccc2[nH]nc(C3=CCOCC3)c2c1.
What is the InChIKey of (5S)-5-[[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is MFTVTONHIBKVKK-NRFANRHFSA-N. The full InChI is InChI=1S/C23H22N4O/c24-14-15-4-6-19-17(12-15)2-1-3-21(19)25-18-5-7-22-20(13-18)23(27-26-22)16-8-10-28-11-9-16/h4-8,12-13,21,25H,1-3,9-11H2,(H,26,27)/t21-/m0/s1.
What are the key properties of (5S)-5-[[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
(5S)-5-[[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 370.46 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[3-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 159554142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).