2-[4-(cyclopropylcarbamoylamino)-2-fluorophenyl]-N,N-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

C25H32FN7O3 — CID 66679239

IUPAC2-[4-(cyclopropylcarbamoylamino)-2-fluorophenyl]-N,N-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESC[C@H]1COCCN1c1nc(-c2ccc(NC(=O)NC3CC3)cc2F)nc2c1CCN(C(=O)N(C)C)C2
InChIInChI=1S/C25H32FN7O3/c1-15-14-36-11-10-33(15)23-19-8-9-32(25(35)31(2)3)13-21(19)29-22(30-23)18-7-6-17(12-20(18)26)28-24(34)27-16-4-5-16/h6-7,12,15-16H,4-5,8-11,13-14H2,1-3H3,(H2,27,28,34)/t15-/m0/s1
InChIKeyOUWCKQHSESGZAR-HNNXBMFYSA-N
MW497.58 g/mol
LogP2.83
Rot. Bonds4

About 2-[4-(cyclopropylcarbamoylamino)-2-fluorophenyl]-N,N-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

2-[4-(cyclopropylcarbamoylamino)-2-fluorophenyl]-N,N-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 66679239) has the molecular formula C25H32FN7O3 and a molecular weight of 497.58 g/mol. Its IUPAC name is 2-[4-(cyclopropylcarbamoylamino)-2-fluorophenyl]-N,N-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-[4-(cyclopropylcarbamoylamino)-2-fluorophenyl]-N,N-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
PubChem CID66679239
Molecular FormulaC25H32FN7O3
Molecular Weight497.58 g/mol
Exact Mass497.26
IUPAC Name2-[4-(cyclopropylcarbamoylamino)-2-fluorophenyl]-N,N-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESC[C@H]1COCCN1c1nc(-c2ccc(NC(=O)NC3CC3)cc2F)nc2c1CCN(C(=O)N(C)C)C2
InChIInChI=1S/C25H32FN7O3/c1-15-14-36-11-10-33(15)23-19-8-9-32(25(35)31(2)3)13-21(19)29-22(30-23)18-7-6-17(12-20(18)26)28-24(34)27-16-4-5-16/h6-7,12,15-16H,4-5,8-11,13-14H2,1-3H3,(H2,27,28,34)/t15-/m0/s1
InChIKeyOUWCKQHSESGZAR-HNNXBMFYSA-N
XLogP2.83
TPSA102.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(cyclopropylcarbamoylamino)-2-fluorophenyl]-N,N-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide 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

1-cyclopropyl-3-[3-fluoro-4-[6-formyl-4-(3-methylmorpholin-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 87107835
ethyl 2-[4-(cyclopropylcarbamoylamino)-2-fluorophenyl]-4-[(3R)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 66679248
1-cyclopropyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(2-methylpropanoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 46912799
1-cyclobutyl-3-[4-[7-(2-hydroxy-2-methylpropanoyl)-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 67276045
1-ethyl-3-[3-fluoro-4-[4-[(3S)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 66678975
1-cyclobutyl-3-[4-[4-(3-methylmorpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]urea
CID 77453133
1-ethyl-3-[3-fluoro-4-[4-(3-methylmorpholin-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]phenyl]urea;hydrochloride
CID 66687862
1-cyclopropyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 46912975
1-cyclobutyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 59239053
1-cyclopropyl-3-[4-[4-(3-methylmorpholin-4-yl)-6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 66688516
1-cyclobutyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 44816976
1-[4-[6-[3-(carbamoylamino)propanoyl]-4-(3-methylmorpholin-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]phenyl]-3-cyclopropylurea
CID 66687922

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylcarbamoylamino)-2-fluorophenyl]-N,N-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The IUPAC name of 2-[4-(cyclopropylcarbamoylamino)-2-fluorophenyl]-N,N-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (CID 66679239) is 2-[4-(cyclopropylcarbamoylamino)-2-fluorophenyl]-N,N-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-[4-(cyclopropylcarbamoylamino)-2-fluorophenyl]-N,N-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The canonical SMILES for 2-[4-(cyclopropylcarbamoylamino)-2-fluorophenyl]-N,N-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is C[C@H]1COCCN1c1nc(-c2ccc(NC(=O)NC3CC3)cc2F)nc2c1CCN(C(=O)N(C)C)C2.
What is the InChIKey of 2-[4-(cyclopropylcarbamoylamino)-2-fluorophenyl]-N,N-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The InChIKey is OUWCKQHSESGZAR-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H32FN7O3/c1-15-14-36-11-10-33(15)23-19-8-9-32(25(35)31(2)3)13-21(19)29-22(30-23)18-7-6-17(12-20(18)26)28-24(34)27-16-4-5-16/h6-7,12,15-16H,4-5,8-11,13-14H2,1-3H3,(H2,27,28,34)/t15-/m0/s1.
What are the key properties of 2-[4-(cyclopropylcarbamoylamino)-2-fluorophenyl]-N,N-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
2-[4-(cyclopropylcarbamoylamino)-2-fluorophenyl]-N,N-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 497.58 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylcarbamoylamino)-2-fluorophenyl]-N,N-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 66679239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).