(2R)-1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]oxypropan-2-ol

C23H26N8O3 — CID 68813537

IUPAC(2R)-1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]oxypropan-2-ol
SMILESCc1cc(Nc2cc(OC[C@@H](C)O)nc(N3CCC[C@H]3c3cc(-c4ccccn4)no3)n2)n[nH]1
InChIInChI=1S/C23H26N8O3/c1-14-10-21(29-28-14)25-20-12-22(33-13-15(2)32)27-23(26-20)31-9-5-7-18(31)19-11-17(30-34-19)16-6-3-4-8-24-16/h3-4,6,8,10-12,15,18,32H,5,7,9,13H2,1-2H3,(H2,25,26,27,28,29)/t15-,18+/m1/s1
InChIKeyFPPGVCSTYXRFFR-QAPCUYQASA-N
MW462.51 g/mol
LogP3.40
Rot. Bonds8

About (2R)-1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]oxypropan-2-ol

(2R)-1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]oxypropan-2-ol (PubChem CID 68813537) has the molecular formula C23H26N8O3 and a molecular weight of 462.51 g/mol. Its IUPAC name is (2R)-1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]oxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]oxypropan-2-ol
PubChem CID68813537
Molecular FormulaC23H26N8O3
Molecular Weight462.51 g/mol
Exact Mass462.21
IUPAC Name(2R)-1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]oxypropan-2-ol
SMILESCc1cc(Nc2cc(OC[C@@H](C)O)nc(N3CCC[C@H]3c3cc(-c4ccccn4)no3)n2)n[nH]1
InChIInChI=1S/C23H26N8O3/c1-14-10-21(29-28-14)25-20-12-22(33-13-15(2)32)27-23(26-20)31-9-5-7-18(31)19-11-17(30-34-19)16-6-3-4-8-24-16/h3-4,6,8,10-12,15,18,32H,5,7,9,13H2,1-2H3,(H2,25,26,27,28,29)/t15-,18+/m1/s1
InChIKeyFPPGVCSTYXRFFR-QAPCUYQASA-N
XLogP3.40
TPSA138.11 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (2R)-1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]oxypropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]oxypropan-2-ol?
The IUPAC name of (2R)-1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]oxypropan-2-ol (CID 68813537) is (2R)-1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]oxypropan-2-ol.
What is the SMILES notation for (2R)-1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]oxypropan-2-ol?
The canonical SMILES for (2R)-1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]oxypropan-2-ol is Cc1cc(Nc2cc(OC[C@@H](C)O)nc(N3CCC[C@H]3c3cc(-c4ccccn4)no3)n2)n[nH]1.
What is the InChIKey of (2R)-1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]oxypropan-2-ol?
The InChIKey is FPPGVCSTYXRFFR-QAPCUYQASA-N. The full InChI is InChI=1S/C23H26N8O3/c1-14-10-21(29-28-14)25-20-12-22(33-13-15(2)32)27-23(26-20)31-9-5-7-18(31)19-11-17(30-34-19)16-6-3-4-8-24-16/h3-4,6,8,10-12,15,18,32H,5,7,9,13H2,1-2H3,(H2,25,26,27,28,29)/t15-,18+/m1/s1.
What are the key properties of (2R)-1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]oxypropan-2-ol?
(2R)-1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]oxypropan-2-ol has a molecular weight of 462.51 g/mol, XLogP of 3.40, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]oxypropan-2-ol is sourced from PubChem (CID 68813537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).