4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperazin-1-yl]-6,7-dimethylpteridine

C24H24ClFN8 — CID 166123092

IUPAC4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperazin-1-yl]-6,7-dimethylpteridine
SMILESCc1nc2nc(N3CCNC(c4cnn(C5CC5)c4)C3)nc(-c3ccc(Cl)cc3F)c2nc1C
InChIInChI=1S/C24H24ClFN8/c1-13-14(2)30-23-22(29-13)21(18-6-3-16(25)9-19(18)26)31-24(32-23)33-8-7-27-20(12-33)15-10-28-34(11-15)17-4-5-17/h3,6,9-11,17,20,27H,4-5,7-8,12H2,1-2H3
InChIKeyNDNOJGPAWCKBTP-UHFFFAOYSA-N
MW478.96 g/mol
LogP4.18
Rot. Bonds4

About 4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperazin-1-yl]-6,7-dimethylpteridine

4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperazin-1-yl]-6,7-dimethylpteridine (PubChem CID 166123092) has the molecular formula C24H24ClFN8 and a molecular weight of 478.96 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperazin-1-yl]-6,7-dimethylpteridine.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperazin-1-yl]-6,7-dimethylpteridine
PubChem CID166123092
Molecular FormulaC24H24ClFN8
Molecular Weight478.96 g/mol
Exact Mass478.18
IUPAC Name4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperazin-1-yl]-6,7-dimethylpteridine
SMILESCc1nc2nc(N3CCNC(c4cnn(C5CC5)c4)C3)nc(-c3ccc(Cl)cc3F)c2nc1C
InChIInChI=1S/C24H24ClFN8/c1-13-14(2)30-23-22(29-13)21(18-6-3-16(25)9-19(18)26)31-24(32-23)33-8-7-27-20(12-33)15-10-28-34(11-15)17-4-5-17/h3,6,9-11,17,20,27H,4-5,7-8,12H2,1-2H3
InChIKeyNDNOJGPAWCKBTP-UHFFFAOYSA-N
XLogP4.18
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.96
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperidin-1-yl]-6,7-dimethylpteridine
CID 166834602
(2R,6S)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 157044918
(2R,6R)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 157045344
4-(4-chloro-2-fluorophenyl)-2-[(3R)-4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidin-1-yl]-6,7-dimethylpteridine
CID 157044492
(2S,6S)-4-[4-(4-chloro-2-fluorophenyl)-7-methylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 157044817
4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine
CID 157044679
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]-6-methylmorpholine
CID 166122547
5-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-1-(1-cyclopropylpyrazol-4-yl)piperidin-2-one
CID 166122199
8-(4-chloro-2-fluorophenyl)-6-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one
CID 168887474
(2R,6S)-4-[8-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrido[2,3-b]pyrazin-6-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 166122080
(R)-(1-cyclopropylpyrazol-4-yl)-[(2R)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]morpholin-2-yl]methanol
CID 166121533
4-(4-chloro-2-fluorophenyl)-2-[2-(1-cyclopropylpyrazol-4-yl)-4-methoxyoxan-4-yl]-6,7-dimethylpteridine
CID 166123216

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperazin-1-yl]-6,7-dimethylpteridine?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperazin-1-yl]-6,7-dimethylpteridine (CID 166123092) is 4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperazin-1-yl]-6,7-dimethylpteridine.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperazin-1-yl]-6,7-dimethylpteridine?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperazin-1-yl]-6,7-dimethylpteridine is Cc1nc2nc(N3CCNC(c4cnn(C5CC5)c4)C3)nc(-c3ccc(Cl)cc3F)c2nc1C.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperazin-1-yl]-6,7-dimethylpteridine?
The InChIKey is NDNOJGPAWCKBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN8/c1-13-14(2)30-23-22(29-13)21(18-6-3-16(25)9-19(18)26)31-24(32-23)33-8-7-27-20(12-33)15-10-28-34(11-15)17-4-5-17/h3,6,9-11,17,20,27H,4-5,7-8,12H2,1-2H3.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperazin-1-yl]-6,7-dimethylpteridine?
4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperazin-1-yl]-6,7-dimethylpteridine has a molecular weight of 478.96 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperazin-1-yl]-6,7-dimethylpteridine is sourced from PubChem (CID 166123092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).