4-[2-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]-3-fluorobenzonitrile

C26H26FN7O2 — CID 177322296

IUPAC4-[2-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]-3-fluorobenzonitrile
SMILESC[C@H]1CN(c2nc3c(c(-c4ccc(C#N)cc4F)n2)CCN(C)C3=O)C[C@@H](c2cnn(C3CC3)c2)O1
InChIInChI=1S/C26H26FN7O2/c1-15-12-33(14-22(36-15)17-11-29-34(13-17)18-4-5-18)26-30-23(19-6-3-16(10-28)9-21(19)27)20-7-8-32(2)25(35)24(20)31-26/h3,6,9,11,13,15,18,22H,4-5,7-8,12,14H2,1-2H3/t15-,22-/m0/s1
InChIKeyWDHYIZDPJAROQU-NYHFZMIOSA-N
MW487.54 g/mol
LogP3.28
Rot. Bonds4

About 4-[2-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]-3-fluorobenzonitrile

4-[2-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]-3-fluorobenzonitrile (PubChem CID 177322296) has the molecular formula C26H26FN7O2 and a molecular weight of 487.54 g/mol. Its IUPAC name is 4-[2-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[2-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]-3-fluorobenzonitrile
PubChem CID177322296
Molecular FormulaC26H26FN7O2
Molecular Weight487.54 g/mol
Exact Mass487.21
IUPAC Name4-[2-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]-3-fluorobenzonitrile
SMILESC[C@H]1CN(c2nc3c(c(-c4ccc(C#N)cc4F)n2)CCN(C)C3=O)C[C@@H](c2cnn(C3CC3)c2)O1
InChIInChI=1S/C26H26FN7O2/c1-15-12-33(14-22(36-15)17-11-29-34(13-17)18-4-5-18)26-30-23(19-6-3-16(10-28)9-21(19)27)20-7-8-32(2)25(35)24(20)31-26/h3,6,9,11,13,15,18,22H,4-5,7-8,12,14H2,1-2H3/t15-,22-/m0/s1
InChIKeyWDHYIZDPJAROQU-NYHFZMIOSA-N
XLogP3.28
TPSA100.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[2-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]-3-fluorobenzonitrile with MolForge

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Related Compounds

3-fluoro-4-[2-[2-(2-methoxy-4-pyridinyl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]benzonitrile
CID 177322311
(2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-4-[6-(2,4-difluorophenyl)-7-methylpurin-2-yl]-6-methylmorpholine
CID 168887841
6-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-8-(2,4-difluorophenyl)-3-methyl-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-4-one
CID 170711577
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
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6,7-bis(trideuteriomethyl)pteridin-2-yl]-6-methylmorpholine
CID 166121864
(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-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7H-pyrimido[4,5-d]pyridazin-8-one
CID 170182312
(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-[(2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-ethylpyrimido[4,5-d]pyridazin-8-one
CID 168887556
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]-6-methylmorpholine
CID 166122547
7-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-d]pyridazin-1-one
CID 170182310

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]-3-fluorobenzonitrile?
The IUPAC name of 4-[2-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]-3-fluorobenzonitrile (CID 177322296) is 4-[2-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[2-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]-3-fluorobenzonitrile?
The canonical SMILES for 4-[2-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]-3-fluorobenzonitrile is C[C@H]1CN(c2nc3c(c(-c4ccc(C#N)cc4F)n2)CCN(C)C3=O)C[C@@H](c2cnn(C3CC3)c2)O1.
What is the InChIKey of 4-[2-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]-3-fluorobenzonitrile?
The InChIKey is WDHYIZDPJAROQU-NYHFZMIOSA-N. The full InChI is InChI=1S/C26H26FN7O2/c1-15-12-33(14-22(36-15)17-11-29-34(13-17)18-4-5-18)26-30-23(19-6-3-16(10-28)9-21(19)27)20-7-8-32(2)25(35)24(20)31-26/h3,6,9,11,13,15,18,22H,4-5,7-8,12,14H2,1-2H3/t15-,22-/m0/s1.
What are the key properties of 4-[2-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]-3-fluorobenzonitrile?
4-[2-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]-3-fluorobenzonitrile has a molecular weight of 487.54 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]-3-fluorobenzonitrile is sourced from PubChem (CID 177322296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).