5-[(2R,6S)-2-methyl-6-[[3-[(7S)-7-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]azetidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile

C26H31N7O — CID 151805132

IUPAC5-[(2R,6S)-2-methyl-6-[[3-[(7S)-7-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]azetidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](CN2CC(n3ncc4c3[C@H](C)NCC4)C2)O1
InChIInChI=1S/C26H31N7O/c1-17-12-32(24-6-5-19(10-27)25-23(24)4-3-8-29-25)16-22(34-17)15-31-13-21(14-31)33-26-18(2)28-9-7-20(26)11-30-33/h3-6,8,11,17-18,21-22,28H,7,9,12-16H2,1-2H3/t17-,18+,22+/m1/s1
InChIKeyRZLGDAZQCBGDKC-FGSXEWAUSA-N
MW457.58 g/mol
LogP2.66
Rot. Bonds4

About 5-[(2R,6S)-2-methyl-6-[[3-[(7S)-7-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]azetidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile

5-[(2R,6S)-2-methyl-6-[[3-[(7S)-7-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]azetidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile (PubChem CID 151805132) has the molecular formula C26H31N7O and a molecular weight of 457.58 g/mol. Its IUPAC name is 5-[(2R,6S)-2-methyl-6-[[3-[(7S)-7-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]azetidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-[(2R,6S)-2-methyl-6-[[3-[(7S)-7-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]azetidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile
PubChem CID151805132
Molecular FormulaC26H31N7O
Molecular Weight457.58 g/mol
Exact Mass457.26
IUPAC Name5-[(2R,6S)-2-methyl-6-[[3-[(7S)-7-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]azetidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](CN2CC(n3ncc4c3[C@H](C)NCC4)C2)O1
InChIInChI=1S/C26H31N7O/c1-17-12-32(24-6-5-19(10-27)25-23(24)4-3-8-29-25)16-22(34-17)15-31-13-21(14-31)33-26-18(2)28-9-7-20(26)11-30-33/h3-6,8,11,17-18,21-22,28H,7,9,12-16H2,1-2H3/t17-,18+,22+/m1/s1
InChIKeyRZLGDAZQCBGDKC-FGSXEWAUSA-N
XLogP2.66
TPSA82.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[(2R,6S)-2-methyl-6-[[3-[(7S)-7-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]azetidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

5-[(2R,6S)-2-methyl-6-(piperazin-1-ylmethyl)morpholin-4-yl]quinoline-8-carbonitrile
CID 118007081
5-[(2R,6S)-2-methyl-6-[(3-piperidin-1-ylazetidin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007344
5-[(2R,6R)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007152
5-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006633
5-[(2S,6R)-2-[[3-[(3S)-3-hydroxypyrrolidin-1-yl]azetidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006881
5-[(2R,6S)-2-methyl-6-[[(3R)-3-methylpyrrolidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007164
5-[(2S,6R)-2-[[3-(4-acetylpiperazin-1-yl)azetidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006792
N-[1-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]azetidin-3-yl]-4-fluorobenzamide
CID 118007226
5-[(2S,6R)-2-[(4-ethylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006976
5-[(2R,6R)-2-methyl-6-(morpholin-4-ylmethyl)morpholin-4-yl]quinoline-8-carbonitrile
CID 118006463
5-[2-[[3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)azetidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 170016548
5-[(2R,6R)-2-[[(3S)-3,4-dimethylpiperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118005811

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,6S)-2-methyl-6-[[3-[(7S)-7-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]azetidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile?
The IUPAC name of 5-[(2R,6S)-2-methyl-6-[[3-[(7S)-7-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]azetidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile (CID 151805132) is 5-[(2R,6S)-2-methyl-6-[[3-[(7S)-7-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]azetidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile.
What is the SMILES notation for 5-[(2R,6S)-2-methyl-6-[[3-[(7S)-7-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]azetidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile?
The canonical SMILES for 5-[(2R,6S)-2-methyl-6-[[3-[(7S)-7-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]azetidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile is C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](CN2CC(n3ncc4c3[C@H](C)NCC4)C2)O1.
What is the InChIKey of 5-[(2R,6S)-2-methyl-6-[[3-[(7S)-7-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]azetidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile?
The InChIKey is RZLGDAZQCBGDKC-FGSXEWAUSA-N. The full InChI is InChI=1S/C26H31N7O/c1-17-12-32(24-6-5-19(10-27)25-23(24)4-3-8-29-25)16-22(34-17)15-31-13-21(14-31)33-26-18(2)28-9-7-20(26)11-30-33/h3-6,8,11,17-18,21-22,28H,7,9,12-16H2,1-2H3/t17-,18+,22+/m1/s1.
What are the key properties of 5-[(2R,6S)-2-methyl-6-[[3-[(7S)-7-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]azetidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile?
5-[(2R,6S)-2-methyl-6-[[3-[(7S)-7-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]azetidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile has a molecular weight of 457.58 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,6S)-2-methyl-6-[[3-[(7S)-7-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]azetidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 151805132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).