(2R,6S)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine

C24H23ClFN7O — CID 157044357

IUPAC(2R,6S)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
SMILESCc1cnc2c(-c3ccc(Cl)cc3F)nc(N3C[C@@H](c4cnn(C5CC5)c4)O[C@@H](C)C3)nc2n1
InChIInChI=1S/C24H23ClFN7O/c1-13-8-27-22-21(18-6-3-16(25)7-19(18)26)30-24(31-23(22)29-13)32-10-14(2)34-20(12-32)15-9-28-33(11-15)17-4-5-17/h3,6-9,11,14,17,20H,4-5,10,12H2,1-2H3/t14-,20-/m0/s1
InChIKeyRKESMIGTMXRHPM-XOBRGWDASA-N
MW479.95 g/mol
LogP4.69
Rot. Bonds4

About (2R,6S)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine

(2R,6S)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine (PubChem CID 157044357) has the molecular formula C24H23ClFN7O and a molecular weight of 479.95 g/mol. Its IUPAC name is (2R,6S)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
PubChem CID157044357
Molecular FormulaC24H23ClFN7O
Molecular Weight479.95 g/mol
Exact Mass479.16
IUPAC Name(2R,6S)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
SMILESCc1cnc2c(-c3ccc(Cl)cc3F)nc(N3C[C@@H](c4cnn(C5CC5)c4)O[C@@H](C)C3)nc2n1
InChIInChI=1S/C24H23ClFN7O/c1-13-8-27-22-21(18-6-3-16(25)7-19(18)26)30-24(31-23(22)29-13)32-10-14(2)34-20(12-32)15-9-28-33(11-15)17-4-5-17/h3,6-9,11,14,17,20H,4-5,10,12H2,1-2H3/t14-,20-/m0/s1
InChIKeyRKESMIGTMXRHPM-XOBRGWDASA-N
XLogP4.69
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.95
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2R,6S)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine?
The IUPAC name of (2R,6S)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine (CID 157044357) is (2R,6S)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine.
What is the SMILES notation for (2R,6S)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine?
The canonical SMILES for (2R,6S)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine is Cc1cnc2c(-c3ccc(Cl)cc3F)nc(N3C[C@@H](c4cnn(C5CC5)c4)O[C@@H](C)C3)nc2n1.
What is the InChIKey of (2R,6S)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine?
The InChIKey is RKESMIGTMXRHPM-XOBRGWDASA-N. The full InChI is InChI=1S/C24H23ClFN7O/c1-13-8-27-22-21(18-6-3-16(25)7-19(18)26)30-24(31-23(22)29-13)32-10-14(2)34-20(12-32)15-9-28-33(11-15)17-4-5-17/h3,6-9,11,14,17,20H,4-5,10,12H2,1-2H3/t14-,20-/m0/s1.
What are the key properties of (2R,6S)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine?
(2R,6S)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine has a molecular weight of 479.95 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine is sourced from PubChem (CID 157044357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).