4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]pyrimidine-5-carboxamide

C22H23Cl2N7O3 — CID 176676047

IUPAC4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]pyrimidine-5-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cnc(Nc2cnn(C[C@H]3CNCCO3)c2)nc1OC1CC1
InChIInChI=1S/C22H23Cl2N7O3/c23-17-2-1-3-18(24)19(17)29-20(32)16-10-26-22(30-21(16)34-14-4-5-14)28-13-8-27-31(11-13)12-15-9-25-6-7-33-15/h1-3,8,10-11,14-15,25H,4-7,9,12H2,(H,29,32)(H,26,28,30)/t15-/m1/s1
InChIKeyBGBIFNSXRIKCDT-OAHLLOKOSA-N
MW504.38 g/mol
LogP3.51
Rot. Bonds8

About 4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]pyrimidine-5-carboxamide

4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]pyrimidine-5-carboxamide (PubChem CID 176676047) has the molecular formula C22H23Cl2N7O3 and a molecular weight of 504.38 g/mol. Its IUPAC name is 4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]pyrimidine-5-carboxamide
PubChem CID176676047
Molecular FormulaC22H23Cl2N7O3
Molecular Weight504.38 g/mol
Exact Mass503.12
IUPAC Name4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]pyrimidine-5-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cnc(Nc2cnn(C[C@H]3CNCCO3)c2)nc1OC1CC1
InChIInChI=1S/C22H23Cl2N7O3/c23-17-2-1-3-18(24)19(17)29-20(32)16-10-26-22(30-21(16)34-14-4-5-14)28-13-8-27-31(11-13)12-15-9-25-6-7-33-15/h1-3,8,10-11,14-15,25H,4-7,9,12H2,(H,29,32)(H,26,28,30)/t15-/m1/s1
InChIKeyBGBIFNSXRIKCDT-OAHLLOKOSA-N
XLogP3.51
TPSA115.22 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.38
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]pyrimidine-5-carboxamide
CID 176676040
methyl (2R)-2-[4-[[4-cyclopropyloxy-5-[(2,6-dichlorophenyl)carbamoyl]pyrimidin-2-yl]amino]pyrazol-1-yl]propanoate
CID 176676019
4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-(3-hydroxy-1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide
CID 176676079
N-(2,6-dichlorophenyl)-4-methoxy-2-(3-methyl-4-piperazin-1-ylanilino)pyrimidine-5-carboxamide
CID 171834950
2,6-dichloro-N-(morpholin-2-ylmethyl)benzamide
CID 113287074
N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-(1-phenylcyclopropyl)pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine
CID 118031598
[2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanol
CID 118022378
4-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine
CID 118031514
2-[(4-chloropyrazol-1-yl)methyl]morpholine
CID 64535065
N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-[5-[(1R)-1-phenylethyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-amine
CID 118023593
4-[4-[5-[difluoro(phenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-(morpholin-2-ylmethyl)pyrazol-4-yl]-1,3,5-triazin-2-amine
CID 123787701
4-[4-[5-(2-cyclopropylethynyl)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine
CID 118023171

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]pyrimidine-5-carboxamide (CID 176676047) is 4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]pyrimidine-5-carboxamide is O=C(Nc1c(Cl)cccc1Cl)c1cnc(Nc2cnn(C[C@H]3CNCCO3)c2)nc1OC1CC1.
What is the InChIKey of 4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is BGBIFNSXRIKCDT-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23Cl2N7O3/c23-17-2-1-3-18(24)19(17)29-20(32)16-10-26-22(30-21(16)34-14-4-5-14)28-13-8-27-31(11-13)12-15-9-25-6-7-33-15/h1-3,8,10-11,14-15,25H,4-7,9,12H2,(H,29,32)(H,26,28,30)/t15-/m1/s1.
What are the key properties of 4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]pyrimidine-5-carboxamide?
4-cyclopropyloxy-N-(2,6-dichlorophenyl)-2-[[1-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 504.38 g/mol, XLogP of 3.51, 8 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-[[(2R)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 176676047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).