(3R)-4-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine

C24H24FN9O — CID 163408899

IUPAC(3R)-4-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
SMILESCc1nn(-c2cncc(F)c2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)cnn12
InChIInChI=1S/C24H24FN9O/c1-14-13-35-7-6-32(14)22-9-21(34-24(29-22)19(12-28-34)20-4-5-27-30-20)23-15(2)31-33(16(23)3)18-8-17(25)10-26-11-18/h4-5,8-12,14H,6-7,13H2,1-3H3,(H,27,30)/t14-/m1/s1
InChIKeySQYGYXGOJYZQEI-CQSZACIVSA-N
MW473.52 g/mol
LogP3.35
Rot. Bonds4

About (3R)-4-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine

(3R)-4-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine (PubChem CID 163408899) has the molecular formula C24H24FN9O and a molecular weight of 473.52 g/mol. Its IUPAC name is (3R)-4-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
PubChem CID163408899
Molecular FormulaC24H24FN9O
Molecular Weight473.52 g/mol
Exact Mass473.21
IUPAC Name(3R)-4-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
SMILESCc1nn(-c2cncc(F)c2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)cnn12
InChIInChI=1S/C24H24FN9O/c1-14-13-35-7-6-32(14)22-9-21(34-24(29-22)19(12-28-34)20-4-5-27-30-20)23-15(2)31-33(16(23)3)18-8-17(25)10-26-11-18/h4-5,8-12,14H,6-7,13H2,1-3H3,(H,27,30)/t14-/m1/s1
InChIKeySQYGYXGOJYZQEI-CQSZACIVSA-N
XLogP3.35
TPSA102.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine (CID 163408899) is (3R)-4-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine is Cc1nn(-c2cncc(F)c2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)cnn12.
What is the InChIKey of (3R)-4-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
The InChIKey is SQYGYXGOJYZQEI-CQSZACIVSA-N. The full InChI is InChI=1S/C24H24FN9O/c1-14-13-35-7-6-32(14)22-9-21(34-24(29-22)19(12-28-34)20-4-5-27-30-20)23-15(2)31-33(16(23)3)18-8-17(25)10-26-11-18/h4-5,8-12,14H,6-7,13H2,1-3H3,(H,27,30)/t14-/m1/s1.
What are the key properties of (3R)-4-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
(3R)-4-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine has a molecular weight of 473.52 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine is sourced from PubChem (CID 163408899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).