5-[6-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

C22H19FN8O — CID 90398832

IUPAC5-[6-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESCc1nc2c(o1)CCN(c1cc(-c3n[nH]c4cc(F)c(-c5cnn(C)c5)cc34)ncn1)C2
InChIInChI=1S/C22H19FN8O/c1-12-27-19-10-31(4-3-20(19)32-12)21-7-18(24-11-25-21)22-15-5-14(13-8-26-30(2)9-13)16(23)6-17(15)28-29-22/h5-9,11H,3-4,10H2,1-2H3,(H,28,29)
InChIKeyNMPMHTYPODCYOS-UHFFFAOYSA-N
MW430.45 g/mol
LogP3.42
Rot. Bonds3

About 5-[6-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

5-[6-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 90398832) has the molecular formula C22H19FN8O and a molecular weight of 430.45 g/mol. Its IUPAC name is 5-[6-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[6-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
PubChem CID90398832
Molecular FormulaC22H19FN8O
Molecular Weight430.45 g/mol
Exact Mass430.17
IUPAC Name5-[6-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESCc1nc2c(o1)CCN(c1cc(-c3n[nH]c4cc(F)c(-c5cnn(C)c5)cc34)ncn1)C2
InChIInChI=1S/C22H19FN8O/c1-12-27-19-10-31(4-3-20(19)32-12)21-7-18(24-11-25-21)22-15-5-14(13-8-26-30(2)9-13)16(23)6-17(15)28-29-22/h5-9,11H,3-4,10H2,1-2H3,(H,28,29)
InChIKeyNMPMHTYPODCYOS-UHFFFAOYSA-N
XLogP3.42
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-[6-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (CID 90398832) is 5-[6-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-[6-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-[6-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is Cc1nc2c(o1)CCN(c1cc(-c3n[nH]c4cc(F)c(-c5cnn(C)c5)cc34)ncn1)C2.
What is the InChIKey of 5-[6-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is NMPMHTYPODCYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN8O/c1-12-27-19-10-31(4-3-20(19)32-12)21-7-18(24-11-25-21)22-15-5-14(13-8-26-30(2)9-13)16(23)6-17(15)28-29-22/h5-9,11H,3-4,10H2,1-2H3,(H,28,29).
What are the key properties of 5-[6-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
5-[6-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 430.45 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-yl]-2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 90398832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).