methyl 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-2,4,4-trimethylpyrrolidine-2-carboxylate

C23H33N7O3 — CID 91564868

IUPACmethyl 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-2,4,4-trimethylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1(C)CC(C)(C)CN1c1nc(N2CCOCC2)cc(N(c2ccn[nH]2)C2CC2)n1
InChIInChI=1S/C23H33N7O3/c1-22(2)14-23(3,20(31)32-4)29(15-22)21-25-18(28-9-11-33-12-10-28)13-19(26-21)30(16-5-6-16)17-7-8-24-27-17/h7-8,13,16H,5-6,9-12,14-15H2,1-4H3,(H,24,27)
InChIKeyIQSMIFCLLVYLHD-UHFFFAOYSA-N
MW455.56 g/mol
LogP2.50
Rot. Bonds6

About methyl 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-2,4,4-trimethylpyrrolidine-2-carboxylate

methyl 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-2,4,4-trimethylpyrrolidine-2-carboxylate (PubChem CID 91564868) has the molecular formula C23H33N7O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is methyl 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-2,4,4-trimethylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-2,4,4-trimethylpyrrolidine-2-carboxylate
PubChem CID91564868
Molecular FormulaC23H33N7O3
Molecular Weight455.56 g/mol
Exact Mass455.26
IUPAC Namemethyl 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-2,4,4-trimethylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1(C)CC(C)(C)CN1c1nc(N2CCOCC2)cc(N(c2ccn[nH]2)C2CC2)n1
InChIInChI=1S/C23H33N7O3/c1-22(2)14-23(3,20(31)32-4)29(15-22)21-25-18(28-9-11-33-12-10-28)13-19(26-21)30(16-5-6-16)17-7-8-24-27-17/h7-8,13,16H,5-6,9-12,14-15H2,1-4H3,(H,24,27)
InChIKeyIQSMIFCLLVYLHD-UHFFFAOYSA-N
XLogP2.50
TPSA99.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-2,4,4-trimethylpyrrolidine-2-carboxylate with MolForge

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Related Compounds

methyl (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2,4,4-trimethylpyrrolidine-2-carboxylate
CID 59436321
1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-methyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 90891709
tert-butyl N-[2-(3-cyclopropylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-(4,4-difluorocyclohexyl)carbamate;ethane
CID 142404556
tert-butyl 1-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyrrolidine-2-carboxylate
CID 122585582
4-morpholin-4-yl-6-(1H-pyrazol-5-yl)pyrimidin-2-amine
CID 50982860
2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridine-4-carboxamide
CID 118869329
N-methyl-3-(2-methylbut-1-enyl)-4-(1-methylsulfanylcyclopropyl)-6-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 155585654
5-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 134446608
methyl 4-morpholin-4-ylpyrimidine-2-carboxylate
CID 150936080
[2-(3-cyclopropylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-(4,4-difluorocyclohexyl)carbamic acid
CID 134510602
1-(4-chlorophenyl)-4-[3-methanimidoyl-6-(3-methylmorpholin-4-yl)-2-(1H-pyrazol-5-ylamino)-4-pyridinyl]piperidin-4-ol
CID 165400517
ethyl 4-[4-morpholin-4-yl-6-(1H-pyrazol-5-ylamino)pyrimidin-2-yl]oxybenzoate
CID 10001593

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-2,4,4-trimethylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-2,4,4-trimethylpyrrolidine-2-carboxylate (CID 91564868) is methyl 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-2,4,4-trimethylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-2,4,4-trimethylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-2,4,4-trimethylpyrrolidine-2-carboxylate is COC(=O)C1(C)CC(C)(C)CN1c1nc(N2CCOCC2)cc(N(c2ccn[nH]2)C2CC2)n1.
What is the InChIKey of methyl 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-2,4,4-trimethylpyrrolidine-2-carboxylate?
The InChIKey is IQSMIFCLLVYLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O3/c1-22(2)14-23(3,20(31)32-4)29(15-22)21-25-18(28-9-11-33-12-10-28)13-19(26-21)30(16-5-6-16)17-7-8-24-27-17/h7-8,13,16H,5-6,9-12,14-15H2,1-4H3,(H,24,27).
What are the key properties of methyl 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-2,4,4-trimethylpyrrolidine-2-carboxylate?
methyl 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-2,4,4-trimethylpyrrolidine-2-carboxylate has a molecular weight of 455.56 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-[cyclopropyl(1H-pyrazol-5-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-2,4,4-trimethylpyrrolidine-2-carboxylate is sourced from PubChem (CID 91564868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).