(2S)-4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine

C22H24N8O — CID 157045160

IUPAC(2S)-4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1ccc(-c2nc(N3CCO[C@@H](c4cnn(C)c4)C3)nc3nc(C)c(C)nc23)cn1
InChIInChI=1S/C22H24N8O/c1-13-5-6-16(9-23-13)19-20-21(26-15(3)14(2)25-20)28-22(27-19)30-7-8-31-18(12-30)17-10-24-29(4)11-17/h5-6,9-11,18H,7-8,12H2,1-4H3/t18-/m1/s1
InChIKeyBJFMHYGHEHZQAX-GOSISDBHSA-N
MW416.49 g/mol
LogP2.72
Rot. Bonds3

About (2S)-4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine

(2S)-4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 157045160) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is (2S)-4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID157045160
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name(2S)-4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1ccc(-c2nc(N3CCO[C@@H](c4cnn(C)c4)C3)nc3nc(C)c(C)nc23)cn1
InChIInChI=1S/C22H24N8O/c1-13-5-6-16(9-23-13)19-20-21(26-15(3)14(2)25-20)28-22(27-19)30-7-8-31-18(12-30)17-10-24-29(4)11-17/h5-6,9-11,18H,7-8,12H2,1-4H3/t18-/m1/s1
InChIKeyBJFMHYGHEHZQAX-GOSISDBHSA-N
XLogP2.72
TPSA94.74 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(2S)-4-[4-(4,4-dimethylcyclohexen-1-yl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045364
4-(6,7-dimethylpteridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 157045930
4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044853
4-[4-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045234
(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045404
4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]morpholine
CID 157045468
4-[4-(3,3-difluorocyclobutyl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044597
(2R)-4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-6,7-dimethylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)morpholine
CID 166122963
(2R)-4-[4-[(3R)-3-fluoropiperidin-1-yl]-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045280
(2R)-4-[6,7-dimethyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 166834526
4-(4-cyclobutyl-7-methylpteridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 157045970
4-(8-chloro-2,3-dimethylpyrido[2,3-b]pyrazin-6-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 174185347

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of (2S)-4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine (CID 157045160) is (2S)-4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for (2S)-4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for (2S)-4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine is Cc1ccc(-c2nc(N3CCO[C@@H](c4cnn(C)c4)C3)nc3nc(C)c(C)nc23)cn1.
What is the InChIKey of (2S)-4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is BJFMHYGHEHZQAX-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24N8O/c1-13-5-6-16(9-23-13)19-20-21(26-15(3)14(2)25-20)28-22(27-19)30-7-8-31-18(12-30)17-10-24-29(4)11-17/h5-6,9-11,18H,7-8,12H2,1-4H3/t18-/m1/s1.
What are the key properties of (2S)-4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
(2S)-4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 416.49 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 157045160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).