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

C25H25F2N9O — CID 163937839

IUPAC(3R)-4-[7-[1-[5-(difluoromethyl)-3-pyridinyl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
SMILESCc1nn(-c2cncc(C(F)F)c2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)cnn12
InChIInChI=1S/C25H25F2N9O/c1-14-13-37-7-6-34(14)22-9-21(36-25(31-22)19(12-30-36)20-4-5-29-32-20)23-15(2)33-35(16(23)3)18-8-17(24(26)27)10-28-11-18/h4-5,8-12,14,24H,6-7,13H2,1-3H3,(H,29,32)/t14-/m1/s1
InChIKeyROIMGMVOHOVKOH-CQSZACIVSA-N
MW505.53 g/mol
LogP4.15
Rot. Bonds5

About (3R)-4-[7-[1-[5-(difluoromethyl)-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-(difluoromethyl)-3-pyridinyl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine (PubChem CID 163937839) has the molecular formula C25H25F2N9O and a molecular weight of 505.53 g/mol. Its IUPAC name is (3R)-4-[7-[1-[5-(difluoromethyl)-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-(difluoromethyl)-3-pyridinyl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
PubChem CID163937839
Molecular FormulaC25H25F2N9O
Molecular Weight505.53 g/mol
Exact Mass505.22
IUPAC Name(3R)-4-[7-[1-[5-(difluoromethyl)-3-pyridinyl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine
SMILESCc1nn(-c2cncc(C(F)F)c2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)cnn12
InChIInChI=1S/C25H25F2N9O/c1-14-13-37-7-6-34(14)22-9-21(36-25(31-22)19(12-30-36)20-4-5-29-32-20)23-15(2)33-35(16(23)3)18-8-17(24(26)27)10-28-11-18/h4-5,8-12,14,24H,6-7,13H2,1-3H3,(H,29,32)/t14-/m1/s1
InChIKeyROIMGMVOHOVKOH-CQSZACIVSA-N
XLogP4.15
TPSA102.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.53
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (3R)-4-[7-[1-[5-(difluoromethyl)-3-pyridinyl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-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-(difluoromethyl)-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-(difluoromethyl)-3-pyridinyl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine (CID 163937839) is (3R)-4-[7-[1-[5-(difluoromethyl)-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-(difluoromethyl)-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-(difluoromethyl)-3-pyridinyl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine is Cc1nn(-c2cncc(C(F)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-(difluoromethyl)-3-pyridinyl]-3,5-dimethylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-3-methylmorpholine?
The InChIKey is ROIMGMVOHOVKOH-CQSZACIVSA-N. The full InChI is InChI=1S/C25H25F2N9O/c1-14-13-37-7-6-34(14)22-9-21(36-25(31-22)19(12-30-36)20-4-5-29-32-20)23-15(2)33-35(16(23)3)18-8-17(24(26)27)10-28-11-18/h4-5,8-12,14,24H,6-7,13H2,1-3H3,(H,29,32)/t14-/m1/s1.
What are the key properties of (3R)-4-[7-[1-[5-(difluoromethyl)-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-(difluoromethyl)-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 505.53 g/mol, XLogP of 4.15, 5 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-(difluoromethyl)-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 163937839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).