[2-chloro-3-(trifluoromethyl)phenyl]-[4-(4-fluoropyrazolidin-3-yl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

C19H18ClF4N5O — CID 118797819

IUPAC[2-chloro-3-(trifluoromethyl)phenyl]-[4-(4-fluoropyrazolidin-3-yl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCc1nc2c(c(C3NNCC3F)n1)CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2
InChIInChI=1S/C19H18ClF4N5O/c1-9-26-14-8-29(6-5-10(14)16(27-9)17-13(21)7-25-28-17)18(30)11-3-2-4-12(15(11)20)19(22,23)24/h2-4,13,17,25,28H,5-8H2,1H3
InChIKeyKOZOUGYCZPBUSN-UHFFFAOYSA-N
MW443.83 g/mol
LogP3.14
Rot. Bonds2

About [2-chloro-3-(trifluoromethyl)phenyl]-[4-(4-fluoropyrazolidin-3-yl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

[2-chloro-3-(trifluoromethyl)phenyl]-[4-(4-fluoropyrazolidin-3-yl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (PubChem CID 118797819) has the molecular formula C19H18ClF4N5O and a molecular weight of 443.83 g/mol. Its IUPAC name is [2-chloro-3-(trifluoromethyl)phenyl]-[4-(4-fluoropyrazolidin-3-yl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.

Molecular Properties

Compound Name[2-chloro-3-(trifluoromethyl)phenyl]-[4-(4-fluoropyrazolidin-3-yl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
PubChem CID118797819
Molecular FormulaC19H18ClF4N5O
Molecular Weight443.83 g/mol
Exact Mass443.11
IUPAC Name[2-chloro-3-(trifluoromethyl)phenyl]-[4-(4-fluoropyrazolidin-3-yl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCc1nc2c(c(C3NNCC3F)n1)CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2
InChIInChI=1S/C19H18ClF4N5O/c1-9-26-14-8-29(6-5-10(14)16(27-9)17-13(21)7-25-28-17)18(30)11-3-2-4-12(15(11)20)19(22,23)24/h2-4,13,17,25,28H,5-8H2,1H3
InChIKeyKOZOUGYCZPBUSN-UHFFFAOYSA-N
XLogP3.14
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.83
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-chloro-3-(trifluoromethyl)phenyl]-[4-(4-fluoropyrazolidin-3-yl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone 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 [2-chloro-3-(trifluoromethyl)phenyl]-[4-(4-fluoropyrazolidin-3-yl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-[4-(4-fluoropyrazolidin-3-yl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (CID 118797819) is [2-chloro-3-(trifluoromethyl)phenyl]-[4-(4-fluoropyrazolidin-3-yl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.
What is the SMILES notation for [2-chloro-3-(trifluoromethyl)phenyl]-[4-(4-fluoropyrazolidin-3-yl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The canonical SMILES for [2-chloro-3-(trifluoromethyl)phenyl]-[4-(4-fluoropyrazolidin-3-yl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is Cc1nc2c(c(C3NNCC3F)n1)CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2.
What is the InChIKey of [2-chloro-3-(trifluoromethyl)phenyl]-[4-(4-fluoropyrazolidin-3-yl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The InChIKey is KOZOUGYCZPBUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF4N5O/c1-9-26-14-8-29(6-5-10(14)16(27-9)17-13(21)7-25-28-17)18(30)11-3-2-4-12(15(11)20)19(22,23)24/h2-4,13,17,25,28H,5-8H2,1H3.
What are the key properties of [2-chloro-3-(trifluoromethyl)phenyl]-[4-(4-fluoropyrazolidin-3-yl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
[2-chloro-3-(trifluoromethyl)phenyl]-[4-(4-fluoropyrazolidin-3-yl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone has a molecular weight of 443.83 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-(trifluoromethyl)phenyl]-[4-(4-fluoropyrazolidin-3-yl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 118797819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).