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

C23H30N6O3 — CID 166927989

IUPACtert-butyl 5-[[4-(1-cyanocyclopropyl)-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate
SMILESCc1cc(Nc2cc(C3(C#N)CC3)cc(N3CCOC[C@H]3C)n2)n(C(=O)OC(C)(C)C)n1
InChIInChI=1S/C23H30N6O3/c1-15-10-20(29(27-15)21(30)32-22(3,4)5)26-18-11-17(23(14-24)6-7-23)12-19(25-18)28-8-9-31-13-16(28)2/h10-12,16H,6-9,13H2,1-5H3,(H,25,26)/t16-/m1/s1
InChIKeyHKAWLIKWKOXFOL-MRXNPFEDSA-N
MW438.53 g/mol
LogP3.89
Rot. Bonds4

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

tert-butyl 5-[[4-(1-cyanocyclopropyl)-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate (PubChem CID 166927989) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is tert-butyl 5-[[4-(1-cyanocyclopropyl)-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[[4-(1-cyanocyclopropyl)-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate
PubChem CID166927989
Molecular FormulaC23H30N6O3
Molecular Weight438.53 g/mol
Exact Mass438.24
IUPAC Nametert-butyl 5-[[4-(1-cyanocyclopropyl)-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate
SMILESCc1cc(Nc2cc(C3(C#N)CC3)cc(N3CCOC[C@H]3C)n2)n(C(=O)OC(C)(C)C)n1
InChIInChI=1S/C23H30N6O3/c1-15-10-20(29(27-15)21(30)32-22(3,4)5)26-18-11-17(23(14-24)6-7-23)12-19(25-18)28-8-9-31-13-16(28)2/h10-12,16H,6-9,13H2,1-5H3,(H,25,26)/t16-/m1/s1
InChIKeyHKAWLIKWKOXFOL-MRXNPFEDSA-N
XLogP3.89
TPSA105.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

tert-butyl 5-[[4-(1,4-dimethylpyrazol-5-yl)-6-(3-methylmorpholin-4-yl)-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate
CID 166928090
1-[2-[(3R)-3-methylmorpholin-4-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]cyclohexane-1-carbonitrile
CID 169304962
1-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrazol-5-ylamino)-4-pyridinyl]cyclopentane-1-carbonitrile
CID 166927935
tert-butyl N-[5-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]carbamate
CID 162439842
3-tert-butyl-5-[[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-2-yl]amino]pyrazole-1-carboxylic acid
CID 170305527
(2,2-dimethylpropanoylamino)-[1-[2-iodo-6-(3-methylmorpholin-4-yl)pyrimidin-4-yl]cyclopropyl]-oxidosulfanium
CID 174237267
2-methyl-2-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrazol-5-ylamino)-4-pyridinyl]propanenitrile
CID 166928099
6-[(3R)-3-methylmorpholin-4-yl]-4-(4-methylsulfonyloxan-4-yl)-N-(1H-pyrazol-5-yl)pyridin-2-amine
CID 166928055
tert-butyl 4-cyano-4-(3,5-difluorophenyl)piperidine-1-carboxylate
CID 156587453
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
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[[4-(1-cyanocyclopropyl)-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate?
The IUPAC name of tert-butyl 5-[[4-(1-cyanocyclopropyl)-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate (CID 166927989) is tert-butyl 5-[[4-(1-cyanocyclopropyl)-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-[[4-(1-cyanocyclopropyl)-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 5-[[4-(1-cyanocyclopropyl)-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate is Cc1cc(Nc2cc(C3(C#N)CC3)cc(N3CCOC[C@H]3C)n2)n(C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl 5-[[4-(1-cyanocyclopropyl)-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate?
The InChIKey is HKAWLIKWKOXFOL-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-15-10-20(29(27-15)21(30)32-22(3,4)5)26-18-11-17(23(14-24)6-7-23)12-19(25-18)28-8-9-31-13-16(28)2/h10-12,16H,6-9,13H2,1-5H3,(H,25,26)/t16-/m1/s1.
What are the key properties of tert-butyl 5-[[4-(1-cyanocyclopropyl)-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate?
tert-butyl 5-[[4-(1-cyanocyclopropyl)-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate has a molecular weight of 438.53 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[[4-(1-cyanocyclopropyl)-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]amino]-3-methylpyrazole-1-carboxylate is sourced from PubChem (CID 166927989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).