1-[2-[(3R)-3-methylmorpholin-4-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]cyclohexane-1-carbonitrile

C21H28N6O — CID 169304962

IUPAC1-[2-[(3R)-3-methylmorpholin-4-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]cyclohexane-1-carbonitrile
SMILESCc1cc(Nc2cc(C3(C#N)CCCCC3)cc(N3CCOC[C@H]3C)n2)n[nH]1
InChIInChI=1S/C21H28N6O/c1-15-10-19(26-25-15)23-18-11-17(21(14-22)6-4-3-5-7-21)12-20(24-18)27-8-9-28-13-16(27)2/h10-12,16H,3-9,13H2,1-2H3,(H2,23,24,25,26)/t16-/m1/s1
InChIKeyRZJPIKVWGWEWCG-MRXNPFEDSA-N
MW380.50 g/mol
LogP3.81
Rot. Bonds4

About 1-[2-[(3R)-3-methylmorpholin-4-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]cyclohexane-1-carbonitrile

1-[2-[(3R)-3-methylmorpholin-4-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]cyclohexane-1-carbonitrile (PubChem CID 169304962) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 1-[2-[(3R)-3-methylmorpholin-4-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-[(3R)-3-methylmorpholin-4-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]cyclohexane-1-carbonitrile
PubChem CID169304962
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name1-[2-[(3R)-3-methylmorpholin-4-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]cyclohexane-1-carbonitrile
SMILESCc1cc(Nc2cc(C3(C#N)CCCCC3)cc(N3CCOC[C@H]3C)n2)n[nH]1
InChIInChI=1S/C21H28N6O/c1-15-10-19(26-25-15)23-18-11-17(21(14-22)6-4-3-5-7-21)12-20(24-18)27-8-9-28-13-16(27)2/h10-12,16H,3-9,13H2,1-2H3,(H2,23,24,25,26)/t16-/m1/s1
InChIKeyRZJPIKVWGWEWCG-MRXNPFEDSA-N
XLogP3.81
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrazol-5-ylamino)-4-pyridinyl]cyclopentane-1-carbonitrile
CID 166927935
tert-butyl 5-[[4-(1-cyanocyclopropyl)-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate
CID 166927989
4-(3-methylmorpholin-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-amine
CID 170305517
1-methyl-4-[(3R)-3-methylmorpholin-4-yl]-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-1-ium-2-amine
CID 169304952
6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonyloxan-4-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 166928055
3-[6-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-4-yl]pyrrolidine-3-carbonitrile
CID 167213113
2-methyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrazol-5-ylamino)-4-pyridinyl]propanenitrile
CID 166928099
4-[5-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxane-4-carbonitrile
CID 167020344
6-(azetidin-1-yl)-2-cyclohexyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 24991599
4-[3-chloro-5-[(3R)-3-methylmorpholin-4-yl]-2H-[1,3]thiazolo[4,5-b]pyridin-7-yl]oxane-4-carbonitrile
CID 169061211
imino-methyl-[1-[5-[(3R)-3-methylmorpholin-4-yl]-3-(5-methyl-1H-pyrazol-3-yl)-1-oxo-[1,2]thiazolo[4,5-b]pyridin-7-yl]cyclopropyl]-oxo-λ6-sulfane
CID 169061203
N-methyl-1-[5-[6-[(3S)-3-methylmorpholin-4-yl]-4-(1-methylsulfonylcyclopropyl)-2-pyridinyl]-1H-pyrrolo[3,2-b]pyridin-2-yl]methanamine
CID 142605112

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-methylmorpholin-4-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[2-[(3R)-3-methylmorpholin-4-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]cyclohexane-1-carbonitrile (CID 169304962) is 1-[2-[(3R)-3-methylmorpholin-4-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[2-[(3R)-3-methylmorpholin-4-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[2-[(3R)-3-methylmorpholin-4-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]cyclohexane-1-carbonitrile is Cc1cc(Nc2cc(C3(C#N)CCCCC3)cc(N3CCOC[C@H]3C)n2)n[nH]1.
What is the InChIKey of 1-[2-[(3R)-3-methylmorpholin-4-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]cyclohexane-1-carbonitrile?
The InChIKey is RZJPIKVWGWEWCG-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H28N6O/c1-15-10-19(26-25-15)23-18-11-17(21(14-22)6-4-3-5-7-21)12-20(24-18)27-8-9-28-13-16(27)2/h10-12,16H,3-9,13H2,1-2H3,(H2,23,24,25,26)/t16-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-methylmorpholin-4-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]cyclohexane-1-carbonitrile?
1-[2-[(3R)-3-methylmorpholin-4-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]cyclohexane-1-carbonitrile has a molecular weight of 380.50 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-methylmorpholin-4-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 169304962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).