tert-butyl 3-[[6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]azetidine-1-carboxylate

C30H32ClFN6O3 — CID 146235933

IUPACtert-butyl 3-[[6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]azetidine-1-carboxylate
SMILESCc1ccnc(C(C)C)c1-n1c(=O)nc(NC2CN(C(=O)OC(C)(C)C)C2)c2cc(Cl)c(-c3ccccc3F)nc21
InChIInChI=1S/C30H32ClFN6O3/c1-16(2)23-25(17(3)11-12-33-23)38-27-20(13-21(31)24(35-27)19-9-7-8-10-22(19)32)26(36-28(38)39)34-18-14-37(15-18)29(40)41-30(4,5)6/h7-13,16,18H,14-15H2,1-6H3,(H,34,36,39)
InChIKeyMYFDHTZWWLXIML-UHFFFAOYSA-N
MW579.08 g/mol
LogP6.10
Rot. Bonds5

About tert-butyl 3-[[6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]azetidine-1-carboxylate

tert-butyl 3-[[6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]azetidine-1-carboxylate (PubChem CID 146235933) has the molecular formula C30H32ClFN6O3 and a molecular weight of 579.08 g/mol. Its IUPAC name is tert-butyl 3-[[6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]azetidine-1-carboxylate
PubChem CID146235933
Molecular FormulaC30H32ClFN6O3
Molecular Weight579.08 g/mol
Exact Mass578.22
IUPAC Nametert-butyl 3-[[6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]azetidine-1-carboxylate
SMILESCc1ccnc(C(C)C)c1-n1c(=O)nc(NC2CN(C(=O)OC(C)(C)C)C2)c2cc(Cl)c(-c3ccccc3F)nc21
InChIInChI=1S/C30H32ClFN6O3/c1-16(2)23-25(17(3)11-12-33-23)38-27-20(13-21(31)24(35-27)19-9-7-8-10-22(19)32)26(36-28(38)39)34-18-14-37(15-18)29(40)41-30(4,5)6/h7-13,16,18H,14-15H2,1-6H3,(H,34,36,39)
InChIKeyMYFDHTZWWLXIML-UHFFFAOYSA-N
XLogP6.10
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.08
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 3-[[6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]azetidine-1-carboxylate 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

6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(1-prop-2-enoylazetidin-3-yl)amino]pyrido[2,3-d]pyrimidin-2-one
CID 146235182
tert-butyl 8-[6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 164523583
tert-butyl (3S)-4-[6-chloro-7-(3-fluoro-2-methoxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate
CID 162732737
tert-butyl 4-[6-chloro-7-(2-fluorophenyl)-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate
CID 153292298
tert-butyl (3S)-4-[6-chloro-7-(5-fluoro-2-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate
CID 162732789
tert-butyl 8-[6-cyano-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 164523560
tert-butyl 4-[6-chloro-7-(2-methoxy-3-methylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate
CID 175271164
tert-butyl 4-[6-chloro-7-(2-fluoro-5-methoxycarbonylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate
CID 175271251
tert-butyl (3S)-4-[6-chloro-7-[2-(2,2-dideuterioethenyl)phenyl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate
CID 168724694
6-chloro-4-[(2S)-4-[2-(2,6-dichlorophenoxy)acetyl]-2-methylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 167313951
6-chloro-7-(2-fluorophenyl)-4-[4-[(2R,3S)-3-(hydroxymethyl)oxirane-2-carbonyl]-2-methylpiperazin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 174240734
tert-butyl 8-[6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 164523662

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]azetidine-1-carboxylate (CID 146235933) is tert-butyl 3-[[6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]azetidine-1-carboxylate is Cc1ccnc(C(C)C)c1-n1c(=O)nc(NC2CN(C(=O)OC(C)(C)C)C2)c2cc(Cl)c(-c3ccccc3F)nc21.
What is the InChIKey of tert-butyl 3-[[6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]azetidine-1-carboxylate?
The InChIKey is MYFDHTZWWLXIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClFN6O3/c1-16(2)23-25(17(3)11-12-33-23)38-27-20(13-21(31)24(35-27)19-9-7-8-10-22(19)32)26(36-28(38)39)34-18-14-37(15-18)29(40)41-30(4,5)6/h7-13,16,18H,14-15H2,1-6H3,(H,34,36,39).
What are the key properties of tert-butyl 3-[[6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]azetidine-1-carboxylate?
tert-butyl 3-[[6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]azetidine-1-carboxylate has a molecular weight of 579.08 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]azetidine-1-carboxylate is sourced from PubChem (CID 146235933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).