2,2-dimethyl-4-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine

C22H24N6O — CID 159183455

IUPAC2,2-dimethyl-4-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
SMILESCn1cc(-c2ccc3c(c2)C(c2cc(N4CCOC(C)(C)C4)ncn2)=NC3)cn1
InChIInChI=1S/C22H24N6O/c1-22(2)13-28(6-7-29-22)20-9-19(24-14-25-20)21-18-8-15(4-5-16(18)10-23-21)17-11-26-27(3)12-17/h4-5,8-9,11-12,14H,6-7,10,13H2,1-3H3
InChIKeyKNEQDAKNQIVONH-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.84
Rot. Bonds3

About 2,2-dimethyl-4-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine

2,2-dimethyl-4-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 159183455) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 2,2-dimethyl-4-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name2,2-dimethyl-4-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
PubChem CID159183455
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name2,2-dimethyl-4-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
SMILESCn1cc(-c2ccc3c(c2)C(c2cc(N4CCOC(C)(C)C4)ncn2)=NC3)cn1
InChIInChI=1S/C22H24N6O/c1-22(2)13-28(6-7-29-22)20-9-19(24-14-25-20)21-18-8-15(4-5-16(18)10-23-21)17-11-26-27(3)12-17/h4-5,8-9,11-12,14H,6-7,10,13H2,1-3H3
InChIKeyKNEQDAKNQIVONH-UHFFFAOYSA-N
XLogP2.84
TPSA68.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-(6-pyrimidin-5-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine
CID 159647573
3-iodo-5-(1-methylpyrazol-4-yl)-1H-isoindole
CID 157423852
3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-(furan-3-yl)-1H-isoindole
CID 161136577
3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole
CID 157070683
5-(1-methylcyclopropyl)oxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 147980565
(2R,6S)-2,6-dimethyl-4-[6-[6-(1H-pyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
CID 158740441
1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 159477110
4-(1-methylpyrazol-4-yl)-6-piperidin-1-ylpyrimidine
CID 39741292
4-[6-[6-[1-(methoxymethyl)cyclopropyl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
CID 161078113
(2S,6R)-2,6-dimethyl-4-[6-[6-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
CID 159914109
2-methyl-8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 152958855
4-[4-[4-methyl-6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine
CID 162152446

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 2,2-dimethyl-4-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine (CID 159183455) is 2,2-dimethyl-4-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 2,2-dimethyl-4-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 2,2-dimethyl-4-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine is Cn1cc(-c2ccc3c(c2)C(c2cc(N4CCOC(C)(C)C4)ncn2)=NC3)cn1.
What is the InChIKey of 2,2-dimethyl-4-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is KNEQDAKNQIVONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-22(2)13-28(6-7-29-22)20-9-19(24-14-25-20)21-18-8-15(4-5-16(18)10-23-21)17-11-26-27(3)12-17/h4-5,8-9,11-12,14H,6-7,10,13H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine?
2,2-dimethyl-4-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 388.48 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 159183455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).