(8R)-4-methoxy-8-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C23H22N6O2 — CID 164587504

IUPAC(8R)-4-methoxy-8-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCOc1c(C#N)cnc2c1CCC[C@H]2Oc1cc2c(cnn2-c2cnn(C)c2)cc1C
InChIInChI=1S/C23H22N6O2/c1-14-7-15-11-27-29(17-12-26-28(2)13-17)19(15)8-21(14)31-20-6-4-5-18-22(20)25-10-16(9-24)23(18)30-3/h7-8,10-13,20H,4-6H2,1-3H3/t20-/m1/s1
InChIKeyIJRFCAOKYPMVAD-HXUWFJFHSA-N
MW414.47 g/mol
LogP3.80
Rot. Bonds4

About (8R)-4-methoxy-8-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile

(8R)-4-methoxy-8-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 164587504) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is (8R)-4-methoxy-8-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name(8R)-4-methoxy-8-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID164587504
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name(8R)-4-methoxy-8-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCOc1c(C#N)cnc2c1CCC[C@H]2Oc1cc2c(cnn2-c2cnn(C)c2)cc1C
InChIInChI=1S/C23H22N6O2/c1-14-7-15-11-27-29(17-12-26-28(2)13-17)19(15)8-21(14)31-20-6-4-5-18-22(20)25-10-16(9-24)23(18)30-3/h7-8,10-13,20H,4-6H2,1-3H3/t20-/m1/s1
InChIKeyIJRFCAOKYPMVAD-HXUWFJFHSA-N
XLogP3.80
TPSA90.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carbonitrile
CID 172702526
(5S)-1-fluoro-5-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164586904
5-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-1-methylsulfonyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 172712891
8-[5-chloro-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 172792472
(5S)-1-fluoro-5-[4-methanimidoyl-2-methyl-5-[(1-methylpyrazol-4-yl)amino]phenoxy]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5R)-1-fluoro-5-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164587075
1-methoxy-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164587440
5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5S)-5-[5-methyl-1-(1H-pyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164587301
5-[1-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164586983
5-methyl-6-[(2R)-2-methylcyclohexyl]-1-(1-methylpyrazol-4-yl)indazole
CID 163644754
8-[1-(3-oxocyclopenten-1-yl)indazol-6-yl]oxy-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 172753120
(5S)-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-1-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164586702
(5S)-5-[4-methanimidoyl-3-[(1-methylpyrazol-4-yl)amino]anilino]-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;(5R)-1-methyl-5-[[1-(1-methylpyrazol-4-yl)indazol-6-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile;molecular hydrogen
CID 164586997

Frequently Asked Questions

What is the IUPAC name of (8R)-4-methoxy-8-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of (8R)-4-methoxy-8-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 164587504) is (8R)-4-methoxy-8-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for (8R)-4-methoxy-8-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for (8R)-4-methoxy-8-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile is COc1c(C#N)cnc2c1CCC[C@H]2Oc1cc2c(cnn2-c2cnn(C)c2)cc1C.
What is the InChIKey of (8R)-4-methoxy-8-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is IJRFCAOKYPMVAD-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-14-7-15-11-27-29(17-12-26-28(2)13-17)19(15)8-21(14)31-20-6-4-5-18-22(20)25-10-16(9-24)23(18)30-3/h7-8,10-13,20H,4-6H2,1-3H3/t20-/m1/s1.
What are the key properties of (8R)-4-methoxy-8-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
(8R)-4-methoxy-8-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 414.47 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-4-methoxy-8-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 164587504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).