4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-[(2S,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine

C23H28F2N6O — CID 157045008

IUPAC4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-[(2S,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine
SMILESCc1nc2nc([C@@H]3CCO[C@H](c4cnn(C)c4)C3)nc(C3CCC(F)(F)CC3)c2nc1C
InChIInChI=1S/C23H28F2N6O/c1-13-14(2)28-22-20(27-13)19(15-4-7-23(24,25)8-5-15)29-21(30-22)16-6-9-32-18(10-16)17-11-26-31(3)12-17/h11-12,15-16,18H,4-10H2,1-3H3/t16-,18+/m1/s1
InChIKeyGVSIOLJABVAKDN-AEFFLSMTSA-N
MW442.51 g/mol
LogP4.70
Rot. Bonds3

About 4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-[(2S,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine

4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-[(2S,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine (PubChem CID 157045008) has the molecular formula C23H28F2N6O and a molecular weight of 442.51 g/mol. Its IUPAC name is 4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-[(2S,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine.

Molecular Properties

Compound Name4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-[(2S,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine
PubChem CID157045008
Molecular FormulaC23H28F2N6O
Molecular Weight442.51 g/mol
Exact Mass442.23
IUPAC Name4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-[(2S,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine
SMILESCc1nc2nc([C@@H]3CCO[C@H](c4cnn(C)c4)C3)nc(C3CCC(F)(F)CC3)c2nc1C
InChIInChI=1S/C23H28F2N6O/c1-13-14(2)28-22-20(27-13)19(15-4-7-23(24,25)8-5-15)29-21(30-22)16-6-9-32-18(10-16)17-11-26-31(3)12-17/h11-12,15-16,18H,4-10H2,1-3H3/t16-,18+/m1/s1
InChIKeyGVSIOLJABVAKDN-AEFFLSMTSA-N
XLogP4.70
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-[(2S,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044346
8-(4-chloro-2-fluorophenyl)-3-methyl-6-[(2R,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine
CID 157044351
4-[6,7-Dimethyl-4-(2,3,4-trifluorophenyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044352
2-(1-Cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholine
CID 157044354
8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,4S,6S)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine
CID 157044366
4-(2-fluoro-4-methylphenyl)-6,7-dimethyl-2-[(2R,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine
CID 157044373
(2R)-4-[4-[3-(difluoromethyl)cyclobutyl]-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044378
8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine
CID 157044382
(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine
CID 157044387
4-[4-(2,4-Difluorophenyl)-7-methylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044396
4-(4,4-Difluorocyclohexyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-methylpyrazole
CID 157044402
2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpteridine
CID 157044406

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-[(2S,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine?
The IUPAC name of 4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-[(2S,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine (CID 157045008) is 4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-[(2S,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine.
What is the SMILES notation for 4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-[(2S,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine?
The canonical SMILES for 4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-[(2S,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine is Cc1nc2nc([C@@H]3CCO[C@H](c4cnn(C)c4)C3)nc(C3CCC(F)(F)CC3)c2nc1C.
What is the InChIKey of 4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-[(2S,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine?
The InChIKey is GVSIOLJABVAKDN-AEFFLSMTSA-N. The full InChI is InChI=1S/C23H28F2N6O/c1-13-14(2)28-22-20(27-13)19(15-4-7-23(24,25)8-5-15)29-21(30-22)16-6-9-32-18(10-16)17-11-26-31(3)12-17/h11-12,15-16,18H,4-10H2,1-3H3/t16-,18+/m1/s1.
What are the key properties of 4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-[(2S,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine?
4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-[(2S,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine has a molecular weight of 442.51 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluorocyclohexyl)-6,7-dimethyl-2-[(2S,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine is sourced from PubChem (CID 157045008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).