4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-(3-hydroxy-1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide

C23H25Cl2N7O3 — CID 176676079

IUPAC4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-(3-hydroxy-1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide
SMILESCN1CCC(n2cc(Nc3ncc(C(=O)Nc4c(Cl)cccc4Cl)c(OC4CC4)n3)cn2)C(O)C1
InChIInChI=1S/C23H25Cl2N7O3/c1-31-8-7-18(19(33)12-31)32-11-13(9-27-32)28-23-26-10-15(22(30-23)35-14-5-6-14)21(34)29-20-16(24)3-2-4-17(20)25/h2-4,9-11,14,18-19,33H,5-8,12H2,1H3,(H,29,34)(H,26,28,30)
InChIKeyFQRHGXUPNDXLEQ-UHFFFAOYSA-N
MW518.41 g/mol
LogP3.75
Rot. Bonds7

About 4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-(3-hydroxy-1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide

4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-(3-hydroxy-1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide (PubChem CID 176676079) has the molecular formula C23H25Cl2N7O3 and a molecular weight of 518.41 g/mol. Its IUPAC name is 4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-(3-hydroxy-1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-(3-hydroxy-1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide
PubChem CID176676079
Molecular FormulaC23H25Cl2N7O3
Molecular Weight518.41 g/mol
Exact Mass517.14
IUPAC Name4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-(3-hydroxy-1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide
SMILESCN1CCC(n2cc(Nc3ncc(C(=O)Nc4c(Cl)cccc4Cl)c(OC4CC4)n3)cn2)C(O)C1
InChIInChI=1S/C23H25Cl2N7O3/c1-31-8-7-18(19(33)12-31)32-11-13(9-27-32)28-23-26-10-15(22(30-23)35-14-5-6-14)21(34)29-20-16(24)3-2-4-17(20)25/h2-4,9-11,14,18-19,33H,5-8,12H2,1H3,(H,29,34)(H,26,28,30)
InChIKeyFQRHGXUPNDXLEQ-UHFFFAOYSA-N
XLogP3.75
TPSA117.43 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.41
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-(3-hydroxy-1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-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

methyl (2R)-2-[4-[[4-cyclopropyloxy-5-[(2,6-dichlorophenyl)carbamoyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propanoate
CID 176676019
4-cyclopropyloxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carbaldehyde;2,6-dichloro-N-methylaniline
CID 176676029
4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]pyrimidine-5-carboxamide
CID 176676040
4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]pyrimidine-5-carboxamide
CID 176676047
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-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 169158202
N-(2,6-dichlorophenyl)-4-methoxy-2-(3-methyl-4-piperazin-1-ylanilino)pyrimidine-5-carboxamide
CID 171834950
4-(2-chloro-6-methoxyanilino)-2-[[1-(1-prop-2-enoylpiperidin-3-yl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide
CID 155126911
5-chloro-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 172824528
2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-ol
CID 169158124
2-[3-chloro-4-(4-methylpiperazin-1-yl)anilino]-N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)pyrimidine-5-carboxamide
CID 11330740
N-(2-chloro-4,6-difluorophenyl)-4-methoxy-2-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]pyrimidine-5-carboxamide
CID 171834953

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-(3-hydroxy-1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-(3-hydroxy-1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide (CID 176676079) is 4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-(3-hydroxy-1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-(3-hydroxy-1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-(3-hydroxy-1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide is CN1CCC(n2cc(Nc3ncc(C(=O)Nc4c(Cl)cccc4Cl)c(OC4CC4)n3)cn2)C(O)C1.
What is the InChIKey of 4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-(3-hydroxy-1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is FQRHGXUPNDXLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N7O3/c1-31-8-7-18(19(33)12-31)32-11-13(9-27-32)28-23-26-10-15(22(30-23)35-14-5-6-14)21(34)29-20-16(24)3-2-4-17(20)25/h2-4,9-11,14,18-19,33H,5-8,12H2,1H3,(H,29,34)(H,26,28,30).
What are the key properties of 4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-(3-hydroxy-1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide?
4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-(3-hydroxy-1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 518.41 g/mol, XLogP of 3.75, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-(3-hydroxy-1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 176676079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).