methyl (2R)-2-[4-[[4-cyclopropyloxy-5-[(2,6-dichlorophenyl)carbamoyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propanoate

C21H20Cl2N6O4 — CID 176676019

IUPACmethyl (2R)-2-[4-[[4-cyclopropyloxy-5-[(2,6-dichlorophenyl)carbamoyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propanoate
SMILESCOC(=O)[C@@H](C)n1cc(Nc2ncc(C(=O)Nc3c(Cl)cccc3Cl)c(OC3CC3)n2)cn1
InChIInChI=1S/C21H20Cl2N6O4/c1-11(20(31)32-2)29-10-12(8-25-29)26-21-24-9-14(19(28-21)33-13-6-7-13)18(30)27-17-15(22)4-3-5-16(17)23/h3-5,8-11,13H,6-7H2,1-2H3,(H,27,30)(H,24,26,28)/t11-/m1/s1
InChIKeyICGNHWKYXVREQC-LLVKDONJSA-N
MW491.34 g/mol
LogP4.25
Rot. Bonds8

About methyl (2R)-2-[4-[[4-cyclopropyloxy-5-[(2,6-dichlorophenyl)carbamoyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propanoate

methyl (2R)-2-[4-[[4-cyclopropyloxy-5-[(2,6-dichlorophenyl)carbamoyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propanoate (PubChem CID 176676019) has the molecular formula C21H20Cl2N6O4 and a molecular weight of 491.34 g/mol. Its IUPAC name is methyl (2R)-2-[4-[[4-cyclopropyloxy-5-[(2,6-dichlorophenyl)carbamoyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[4-[[4-cyclopropyloxy-5-[(2,6-dichlorophenyl)carbamoyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propanoate
PubChem CID176676019
Molecular FormulaC21H20Cl2N6O4
Molecular Weight491.34 g/mol
Exact Mass490.09
IUPAC Namemethyl (2R)-2-[4-[[4-cyclopropyloxy-5-[(2,6-dichlorophenyl)carbamoyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propanoate
SMILESCOC(=O)[C@@H](C)n1cc(Nc2ncc(C(=O)Nc3c(Cl)cccc3Cl)c(OC3CC3)n2)cn1
InChIInChI=1S/C21H20Cl2N6O4/c1-11(20(31)32-2)29-10-12(8-25-29)26-21-24-9-14(19(28-21)33-13-6-7-13)18(30)27-17-15(22)4-3-5-16(17)23/h3-5,8-11,13H,6-7H2,1-2H3,(H,27,30)(H,24,26,28)/t11-/m1/s1
InChIKeyICGNHWKYXVREQC-LLVKDONJSA-N
XLogP4.25
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.34
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl (2R)-2-[4-[[4-cyclopropyloxy-5-[(2,6-dichlorophenyl)carbamoyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propanoate 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

4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-(3-hydroxy-1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide
CID 176676079
4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]pyrimidine-5-carboxamide
CID 176676047
4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]pyrimidine-5-carboxamide
CID 176676040
2-[[(E)-1-amino-3-(1-methylpiperidin-4-yl)iminoprop-1-en-2-yl]amino]-N-(2,6-dichlorophenyl)-4-(3-methoxycyclobutyl)oxypyrimidine-5-carboxamide
CID 176676101
4-cyclopropyloxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carbaldehyde;2,6-dichloro-N-methylaniline
CID 176676029
N-(2,6-dichlorophenyl)-4-methoxy-2-(3-methyl-4-piperazin-1-ylanilino)pyrimidine-5-carboxamide
CID 171834950
N-(2,6-dichlorophenyl)-4-methoxy-2-methylpyrimidine-5-carboxamide
CID 171834940
2-[4-[(2,6-dichlorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502901
4-(2-chloro-6-methoxyanilino)-2-[[1-(1-prop-2-enoylpiperidin-3-yl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide
CID 155126911
4-(2-cyclopentyloxyphenoxy)-N-(2,6-dimethylphenyl)-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 11319545
(2S)-2-[4-[[4-(benzylamino)-5-chloropyrimidin-2-yl]amino]pyrazol-1-yl]propanamide
CID 90023020
[3-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxycyclohexyl]carbamic acid
CID 121482338

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[4-[[4-cyclopropyloxy-5-[(2,6-dichlorophenyl)carbamoyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propanoate?
The IUPAC name of methyl (2R)-2-[4-[[4-cyclopropyloxy-5-[(2,6-dichlorophenyl)carbamoyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propanoate (CID 176676019) is methyl (2R)-2-[4-[[4-cyclopropyloxy-5-[(2,6-dichlorophenyl)carbamoyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propanoate.
What is the SMILES notation for methyl (2R)-2-[4-[[4-cyclopropyloxy-5-[(2,6-dichlorophenyl)carbamoyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propanoate?
The canonical SMILES for methyl (2R)-2-[4-[[4-cyclopropyloxy-5-[(2,6-dichlorophenyl)carbamoyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propanoate is COC(=O)[C@@H](C)n1cc(Nc2ncc(C(=O)Nc3c(Cl)cccc3Cl)c(OC3CC3)n2)cn1.
What is the InChIKey of methyl (2R)-2-[4-[[4-cyclopropyloxy-5-[(2,6-dichlorophenyl)carbamoyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propanoate?
The InChIKey is ICGNHWKYXVREQC-LLVKDONJSA-N. The full InChI is InChI=1S/C21H20Cl2N6O4/c1-11(20(31)32-2)29-10-12(8-25-29)26-21-24-9-14(19(28-21)33-13-6-7-13)18(30)27-17-15(22)4-3-5-16(17)23/h3-5,8-11,13H,6-7H2,1-2H3,(H,27,30)(H,24,26,28)/t11-/m1/s1.
What are the key properties of methyl (2R)-2-[4-[[4-cyclopropyloxy-5-[(2,6-dichlorophenyl)carbamoyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propanoate?
methyl (2R)-2-[4-[[4-cyclopropyloxy-5-[(2,6-dichlorophenyl)carbamoyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propanoate has a molecular weight of 491.34 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[4-[[4-cyclopropyloxy-5-[(2,6-dichlorophenyl)carbamoyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propanoate is sourced from PubChem (CID 176676019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).