(2S)-N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide

C12H11FN6O2 — CID 156841932

IUPAC(2S)-N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide
SMILESC[C@](O)(Cn1cc(F)cn1)C(=O)Nc1cnc(C#N)nc1
InChIInChI=1S/C12H11FN6O2/c1-12(21,7-19-6-8(13)3-17-19)11(20)18-9-4-15-10(2-14)16-5-9/h3-6,21H,7H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyFAFPOKAZYQVXLB-LBPRGKRZSA-N
MW290.26 g/mol
LogP0.07
Rot. Bonds4

About (2S)-N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide

(2S)-N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide (PubChem CID 156841932) has the molecular formula C12H11FN6O2 and a molecular weight of 290.26 g/mol. Its IUPAC name is (2S)-N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide
PubChem CID156841932
Molecular FormulaC12H11FN6O2
Molecular Weight290.26 g/mol
Exact Mass290.09
IUPAC Name(2S)-N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide
SMILESC[C@](O)(Cn1cc(F)cn1)C(=O)Nc1cnc(C#N)nc1
InChIInChI=1S/C12H11FN6O2/c1-12(21,7-19-6-8(13)3-17-19)11(20)18-9-4-15-10(2-14)16-5-9/h3-6,21H,7H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyFAFPOKAZYQVXLB-LBPRGKRZSA-N
XLogP0.07
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-(2-cyanopyrimidin-5-yl)-2-[(4-fluoropyrazol-1-yl)methyl]-2-hydroxybutanamide
CID 156876132
N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide
CID 166772684
(2S)-N-(2-cyanopyrimidin-5-yl)-2-[(4-fluoropyrazol-1-yl)methyl]-2-hydroxybut-3-enamide
CID 166779967
N-(2-cyanopyrimidin-5-yl)-2-[(4-fluoropyrazol-1-yl)methyl]-2-hydroxybut-3-ynamide
CID 166780007
(2S)-N-(2-cyanopyrimidin-5-yl)-2-[(4-fluoropyrazol-1-yl)methyl]-2-hydroxybut-3-ynamide
CID 166780043
2-[4-[3-[(2-Fluoropyrimidin-4-yl)amino]propanoylamino]pyrazol-1-yl]acetic acid
CID 171654630
1-[4-[(5-Iodopyrimidin-2-yl)amino]pyrazol-1-yl]-2-methylpropan-2-ol
CID 154640606
(2S)-3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide
CID 156841940
(2S)-N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide;ethane
CID 156876151
3-(4-cyanopyrazol-1-yl)-N-(2-cyanopyrimidin-5-yl)-2-hydroxy-2-methylpropanamide
CID 166772687
2-[(4-cyanopyrazol-1-yl)methyl]-N-(2-cyanopyrimidin-5-yl)-2-hydroxybut-3-enamide
CID 166779968
(2S)-2-[(4-cyano-3,4-dihydropyrazol-2-yl)methyl]-N-(2-cyanopyrimidin-5-yl)-2-hydroxybut-3-ynamide
CID 166779992

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2S)-N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide (CID 156841932) is (2S)-N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2S)-N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2S)-N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide is C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1cnc(C#N)nc1.
What is the InChIKey of (2S)-N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide?
The InChIKey is FAFPOKAZYQVXLB-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H11FN6O2/c1-12(21,7-19-6-8(13)3-17-19)11(20)18-9-4-15-10(2-14)16-5-9/h3-6,21H,7H2,1H3,(H,18,20)/t12-/m0/s1.
What are the key properties of (2S)-N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide?
(2S)-N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide has a molecular weight of 290.26 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-cyanopyrimidin-5-yl)-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 156841932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).