(3R)-4-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine

C29H32FN9O2 — CID 169035103

IUPAC(3R)-4-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
SMILESCc1nn(-c2cncc(F)c2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccnn3C3CCCCO3)cnn12
InChIInChI=1S/C29H32FN9O2/c1-18-17-40-11-9-36(18)26-13-25(28-19(2)35-37(20(28)3)22-12-21(30)14-31-15-22)39-29(34-26)23(16-33-39)24-7-8-32-38(24)27-6-4-5-10-41-27/h7-8,12-16,18,27H,4-6,9-11,17H2,1-3H3/t18-,27?/m1/s1
InChIKeyJJOMUTCLDINSCT-XZATXCMXSA-N
MW557.63 g/mol
LogP4.52
Rot. Bonds5

About (3R)-4-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine

(3R)-4-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine (PubChem CID 169035103) has the molecular formula C29H32FN9O2 and a molecular weight of 557.63 g/mol. Its IUPAC name is (3R)-4-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-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-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
PubChem CID169035103
Molecular FormulaC29H32FN9O2
Molecular Weight557.63 g/mol
Exact Mass557.27
IUPAC Name(3R)-4-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
SMILESCc1nn(-c2cncc(F)c2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccnn3C3CCCCO3)cnn12
InChIInChI=1S/C29H32FN9O2/c1-18-17-40-11-9-36(18)26-13-25(28-19(2)35-37(20(28)3)22-12-21(30)14-31-15-22)39-29(34-26)23(16-33-39)24-7-8-32-38(24)27-6-4-5-10-41-27/h7-8,12-16,18,27H,4-6,9-11,17H2,1-3H3/t18-,27?/m1/s1
InChIKeyJJOMUTCLDINSCT-XZATXCMXSA-N
XLogP4.52
TPSA100.42 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.63
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze (3R)-4-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine with MolForge

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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-[2-(oxan-2-yl)pyrazol-3-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-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine (CID 169035103) is (3R)-4-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-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-[2-(oxan-2-yl)pyrazol-3-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-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine is Cc1nn(-c2cncc(F)c2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccnn3C3CCCCO3)cnn12.
What is the InChIKey of (3R)-4-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
The InChIKey is JJOMUTCLDINSCT-XZATXCMXSA-N. The full InChI is InChI=1S/C29H32FN9O2/c1-18-17-40-11-9-36(18)26-13-25(28-19(2)35-37(20(28)3)22-12-21(30)14-31-15-22)39-29(34-26)23(16-33-39)24-7-8-32-38(24)27-6-4-5-10-41-27/h7-8,12-16,18,27H,4-6,9-11,17H2,1-3H3/t18-,27?/m1/s1.
What are the key properties of (3R)-4-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
(3R)-4-[7-[1-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine has a molecular weight of 557.63 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 11 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-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine is sourced from PubChem (CID 169035103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).