cyclopropyl-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-4-[[(2R)-4-hydroxybutan-2-yl]amino]-3-pyridinyl]methanone

C23H27N7O4S — CID 167425585

IUPACcyclopropyl-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-4-[[(2R)-4-hydroxybutan-2-yl]amino]-3-pyridinyl]methanone
SMILESC[C@H](CCO)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1C(=O)C1CC1
InChIInChI=1S/C23H27N7O4S/c1-14(7-9-31)27-19-10-21(25-12-18(19)22(32)15-2-3-15)28-20-6-8-24-23(29-20)16-11-26-30(13-16)35(33,34)17-4-5-17/h6,8,10-15,17,31H,2-5,7,9H2,1H3,(H2,24,25,27,28,29)/t14-/m1/s1
InChIKeyZTLWAOMOEXDCDL-CQSZACIVSA-N
MW497.58 g/mol
LogP2.59
Rot. Bonds11

About cyclopropyl-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-4-[[(2R)-4-hydroxybutan-2-yl]amino]-3-pyridinyl]methanone

cyclopropyl-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-4-[[(2R)-4-hydroxybutan-2-yl]amino]-3-pyridinyl]methanone (PubChem CID 167425585) has the molecular formula C23H27N7O4S and a molecular weight of 497.58 g/mol. Its IUPAC name is cyclopropyl-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-4-[[(2R)-4-hydroxybutan-2-yl]amino]-3-pyridinyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-4-[[(2R)-4-hydroxybutan-2-yl]amino]-3-pyridinyl]methanone
PubChem CID167425585
Molecular FormulaC23H27N7O4S
Molecular Weight497.58 g/mol
Exact Mass497.18
IUPAC Namecyclopropyl-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-4-[[(2R)-4-hydroxybutan-2-yl]amino]-3-pyridinyl]methanone
SMILESC[C@H](CCO)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1C(=O)C1CC1
InChIInChI=1S/C23H27N7O4S/c1-14(7-9-31)27-19-10-21(25-12-18(19)22(32)15-2-3-15)28-20-6-8-24-23(29-20)16-11-26-30(13-16)35(33,34)17-4-5-17/h6,8,10-15,17,31H,2-5,7,9H2,1H3,(H2,24,25,27,28,29)/t14-/m1/s1
InChIKeyZTLWAOMOEXDCDL-CQSZACIVSA-N
XLogP2.59
TPSA151.99 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.58
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze cyclopropyl-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-4-[[(2R)-4-hydroxybutan-2-yl]amino]-3-pyridinyl]methanone with MolForge

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Related Compounds

cyclopropyl-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-3-pyridinyl]methanone
CID 167425452
cyclopropyl-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-4-[(4-hydroxy-4-methylcyclohexyl)amino]-3-pyridinyl]methanone
CID 175860140
cyclopropyl-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-4-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]methanone
CID 175860158
[4-[[4-[(cyclopentylamino)methyl]cyclohexyl]methylamino]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-3-pyridinyl]-cyclopropylmethanone
CID 167425547
cyclopropyl-[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methylamino]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-3-pyridinyl]methanone
CID 167425421
6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-N-(2,2-difluoroethyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 167425499
cyclopropyl-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-4-[[1-(oxetan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]methanone
CID 167425531
2-[1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-4-(propan-2-ylamino)pyridine-3-carboximidoyl]azetidin-3-yl]propan-2-ol
CID 144767814
2-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]oxyethanol
CID 90183659
1-[1-butan-2-yl-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]imidazo[4,5-c]pyridin-2-yl]ethanol
CID 123927459
1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]ethanol
CID 90183698
[1-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidin-3-yl]methanol
CID 122509924

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-4-[[(2R)-4-hydroxybutan-2-yl]amino]-3-pyridinyl]methanone?
The IUPAC name of cyclopropyl-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-4-[[(2R)-4-hydroxybutan-2-yl]amino]-3-pyridinyl]methanone (CID 167425585) is cyclopropyl-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-4-[[(2R)-4-hydroxybutan-2-yl]amino]-3-pyridinyl]methanone.
What is the SMILES notation for cyclopropyl-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-4-[[(2R)-4-hydroxybutan-2-yl]amino]-3-pyridinyl]methanone?
The canonical SMILES for cyclopropyl-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-4-[[(2R)-4-hydroxybutan-2-yl]amino]-3-pyridinyl]methanone is C[C@H](CCO)Nc1cc(Nc2ccnc(-c3cnn(S(=O)(=O)C4CC4)c3)n2)ncc1C(=O)C1CC1.
What is the InChIKey of cyclopropyl-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-4-[[(2R)-4-hydroxybutan-2-yl]amino]-3-pyridinyl]methanone?
The InChIKey is ZTLWAOMOEXDCDL-CQSZACIVSA-N. The full InChI is InChI=1S/C23H27N7O4S/c1-14(7-9-31)27-19-10-21(25-12-18(19)22(32)15-2-3-15)28-20-6-8-24-23(29-20)16-11-26-30(13-16)35(33,34)17-4-5-17/h6,8,10-15,17,31H,2-5,7,9H2,1H3,(H2,24,25,27,28,29)/t14-/m1/s1.
What are the key properties of cyclopropyl-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-4-[[(2R)-4-hydroxybutan-2-yl]amino]-3-pyridinyl]methanone?
cyclopropyl-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-4-[[(2R)-4-hydroxybutan-2-yl]amino]-3-pyridinyl]methanone has a molecular weight of 497.58 g/mol, XLogP of 2.59, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-4-[[(2R)-4-hydroxybutan-2-yl]amino]-3-pyridinyl]methanone is sourced from PubChem (CID 167425585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).