(2R)-3-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol

C21H26FN7O2 — CID 24949555

IUPAC(2R)-3-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol
SMILESC[C@H](Nc1nc(NC[C@@H](O)CO)cc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1
InChIInChI=1S/C21H26FN7O2/c1-12(13-4-6-15(22)7-5-13)24-21-26-18(23-10-16(31)11-30)9-19(27-21)25-20-8-17(28-29-20)14-2-3-14/h4-9,12,14,16,30-31H,2-3,10-11H2,1H3,(H4,23,24,25,26,27,28,29)/t12-,16+/m0/s1
InChIKeyVAOFWFFZGFBOFY-BLLLJJGKSA-N
MW427.48 g/mol
LogP2.90
Rot. Bonds10

About (2R)-3-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol

(2R)-3-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol (PubChem CID 24949555) has the molecular formula C21H26FN7O2 and a molecular weight of 427.48 g/mol. Its IUPAC name is (2R)-3-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol
PubChem CID24949555
Molecular FormulaC21H26FN7O2
Molecular Weight427.48 g/mol
Exact Mass427.21
IUPAC Name(2R)-3-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol
SMILESC[C@H](Nc1nc(NC[C@@H](O)CO)cc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1
InChIInChI=1S/C21H26FN7O2/c1-12(13-4-6-15(22)7-5-13)24-21-26-18(23-10-16(31)11-30)9-19(27-21)25-20-8-17(28-29-20)14-2-3-14/h4-9,12,14,16,30-31H,2-3,10-11H2,1H3,(H4,23,24,25,26,27,28,29)/t12-,16+/m0/s1
InChIKeyVAOFWFFZGFBOFY-BLLLJJGKSA-N
XLogP2.90
TPSA131.01 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.48
LogP ≤ 52.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze (2R)-3-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-({5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)-2-(4-fluorophenyl)ethan-1-ol
CID 11978451
(2R)-2-({5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)-2-phenylethan-1-ol
CID 24949401
(2R)-3-[[5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol
CID 24949245
(2S)-2-({5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)-2-phenylethan-1-ol
CID 24949092
3-[2-Ethyl-3-(4-fluoro-phenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-ylamino]-propan-1-ol
CID 3231330
(S)-6-(5-cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino)nicotinonitrile
CID 11646595
2-[[5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]amino]propane-1,3-diol
CID 11978448
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 24949094
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 24949402
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 24949403
(2R)-2-({5-Chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-6-[(2-morpholin-4-ylethyl)amino]pyrimidin-2-yl}amino)-2-(4-fluorophenyl)ethanol
CID 24949553
2-[[5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]amino]ethanol
CID 24949554

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol?
The IUPAC name of (2R)-3-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol (CID 24949555) is (2R)-3-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol?
The canonical SMILES for (2R)-3-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol is C[C@H](Nc1nc(NC[C@@H](O)CO)cc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1.
What is the InChIKey of (2R)-3-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol?
The InChIKey is VAOFWFFZGFBOFY-BLLLJJGKSA-N. The full InChI is InChI=1S/C21H26FN7O2/c1-12(13-4-6-15(22)7-5-13)24-21-26-18(23-10-16(31)11-30)9-19(27-21)25-20-8-17(28-29-20)14-2-3-14/h4-9,12,14,16,30-31H,2-3,10-11H2,1H3,(H4,23,24,25,26,27,28,29)/t12-,16+/m0/s1.
What are the key properties of (2R)-3-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol?
(2R)-3-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol has a molecular weight of 427.48 g/mol, XLogP of 2.90, 10 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrimidin-4-yl]amino]propane-1,2-diol is sourced from PubChem (CID 24949555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).