tert-butyl 5-[[4-(1,4-dimethylpyrazol-5-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate

C24H33N7O3 — CID 166928090

IUPACtert-butyl 5-[[4-(1,4-dimethylpyrazol-5-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate
SMILESCc1cc(Nc2cc(-c3c(C)cnn3C)cc(N3CCOCC3C)n2)n(C(=O)OC(C)(C)C)n1
InChIInChI=1S/C24H33N7O3/c1-15-13-25-29(7)22(15)18-11-19(26-20(12-18)30-8-9-33-14-17(30)3)27-21-10-16(2)28-31(21)23(32)34-24(4,5)6/h10-13,17H,8-9,14H2,1-7H3,(H,26,27)
InChIKeyKKJANXXXHIDSOX-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.05
Rot. Bonds4

About tert-butyl 5-[[4-(1,4-dimethylpyrazol-5-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate

tert-butyl 5-[[4-(1,4-dimethylpyrazol-5-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate (PubChem CID 166928090) has the molecular formula C24H33N7O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is tert-butyl 5-[[4-(1,4-dimethylpyrazol-5-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[[4-(1,4-dimethylpyrazol-5-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate
PubChem CID166928090
Molecular FormulaC24H33N7O3
Molecular Weight467.57 g/mol
Exact Mass467.26
IUPAC Nametert-butyl 5-[[4-(1,4-dimethylpyrazol-5-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate
SMILESCc1cc(Nc2cc(-c3c(C)cnn3C)cc(N3CCOCC3C)n2)n(C(=O)OC(C)(C)C)n1
InChIInChI=1S/C24H33N7O3/c1-15-13-25-29(7)22(15)18-11-19(26-20(12-18)30-8-9-33-14-17(30)3)27-21-10-16(2)28-31(21)23(32)34-24(4,5)6/h10-13,17H,8-9,14H2,1-7H3,(H,26,27)
InChIKeyKKJANXXXHIDSOX-UHFFFAOYSA-N
XLogP4.05
TPSA99.33 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze tert-butyl 5-[[4-(1,4-dimethylpyrazol-5-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 5-[[4-(1-cyanocyclopropyl)-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate
CID 166927989
4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 166928001
4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 139406180
tert-butyl N-[5-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]carbamate
CID 162439842
4-[6-(1,4-dimethylpyrazol-5-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 139406033
tert-butyl 5-[(6-methoxy-2-methylsulfonylpyrimidin-4-yl)amino]-3-methylpyrazole-1-carboxylate
CID 71473226
carbanide;4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1-(4-methylphenyl)sulfonylindole-6-carboxylate;tungsten
CID 160673259
tert-butyl N-[8-bromo-6-[(3S)-3-methylmorpholin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 178009170
3-tert-butyl-5-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]amino]pyrazole-1-carboxylic acid
CID 170305527
tert-butyl 4-[4-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate
CID 155376183
methyl 2-methyl-6-(3-methylmorpholin-4-yl)pyridine-3-carboxylate
CID 133418545
tert-butyl 3-[amino-(4-bromo-1-methylpyrazol-5-yl)methyl]morpholine-4-carboxylate
CID 103554501

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[[4-(1,4-dimethylpyrazol-5-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate?
The IUPAC name of tert-butyl 5-[[4-(1,4-dimethylpyrazol-5-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate (CID 166928090) is tert-butyl 5-[[4-(1,4-dimethylpyrazol-5-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-[[4-(1,4-dimethylpyrazol-5-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 5-[[4-(1,4-dimethylpyrazol-5-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate is Cc1cc(Nc2cc(-c3c(C)cnn3C)cc(N3CCOCC3C)n2)n(C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl 5-[[4-(1,4-dimethylpyrazol-5-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate?
The InChIKey is KKJANXXXHIDSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O3/c1-15-13-25-29(7)22(15)18-11-19(26-20(12-18)30-8-9-33-14-17(30)3)27-21-10-16(2)28-31(21)23(32)34-24(4,5)6/h10-13,17H,8-9,14H2,1-7H3,(H,26,27).
What are the key properties of tert-butyl 5-[[4-(1,4-dimethylpyrazol-5-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate?
tert-butyl 5-[[4-(1,4-dimethylpyrazol-5-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate has a molecular weight of 467.57 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[[4-(1,4-dimethylpyrazol-5-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate is sourced from PubChem (CID 166928090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).