N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine

C20H19FN8OS — CID 68815997

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESFc1cnc(N2CCC[C@H]2c2cc(-c3nccs3)no2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C20H19FN8OS/c21-12-10-23-20(25-18(12)24-17-9-13(26-27-17)11-3-4-11)29-6-1-2-15(29)16-8-14(28-30-16)19-22-5-7-31-19/h5,7-11,15H,1-4,6H2,(H2,23,24,25,26,27)/t15-/m0/s1
InChIKeyVSZPCAYYVVYVCQ-HNNXBMFYSA-N
MW438.49 g/mol
LogP4.41
Rot. Bonds6

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 68815997) has the molecular formula C20H19FN8OS and a molecular weight of 438.49 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID68815997
Molecular FormulaC20H19FN8OS
Molecular Weight438.49 g/mol
Exact Mass438.14
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESFc1cnc(N2CCC[C@H]2c2cc(-c3nccs3)no2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C20H19FN8OS/c21-12-10-23-20(25-18(12)24-17-9-13(26-27-17)11-3-4-11)29-6-1-2-15(29)16-8-14(28-30-16)19-22-5-7-31-19/h5,7-11,15H,1-4,6H2,(H2,23,24,25,26,27)/t15-/m0/s1
InChIKeyVSZPCAYYVVYVCQ-HNNXBMFYSA-N
XLogP4.41
TPSA108.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine (CID 68815997) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine is Fc1cnc(N2CCC[C@H]2c2cc(-c3nccs3)no2)nc1Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is VSZPCAYYVVYVCQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19FN8OS/c21-12-10-23-20(25-18(12)24-17-9-13(26-27-17)11-3-4-11)29-6-1-2-15(29)16-8-14(28-30-16)19-22-5-7-31-19/h5,7-11,15H,1-4,6H2,(H2,23,24,25,26,27)/t15-/m0/s1.
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 438.49 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-[(2S)-2-[3-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 68815997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).