(4R)-4-[(1R)-1-[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C19H18F3N5O2 — CID 122498425

IUPAC(4R)-4-[(1R)-1-[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2ccc(C(F)(F)F)nc2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C19H18F3N5O2/c1-10(12-5-17(28)24-8-12)29-18-13-9-27(2)26-15(13)6-14(25-18)11-3-4-16(23-7-11)19(20,21)22/h3-4,6-7,9-10,12H,5,8H2,1-2H3,(H,24,28)/t10-,12-/m1/s1
InChIKeyPOSCFQVOEFKTSG-ZYHUDNBSSA-N
MW405.38 g/mol
LogP2.95
Rot. Bonds4

About (4R)-4-[(1R)-1-[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 122498425) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID122498425
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC Name(4R)-4-[(1R)-1-[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2ccc(C(F)(F)F)nc2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C19H18F3N5O2/c1-10(12-5-17(28)24-8-12)29-18-13-9-27(2)26-15(13)6-14(25-18)11-3-4-16(23-7-11)19(20,21)22/h3-4,6-7,9-10,12H,5,8H2,1-2H3,(H,24,28)/t10-,12-/m1/s1
InChIKeyPOSCFQVOEFKTSG-ZYHUDNBSSA-N
XLogP2.95
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 122498425) is (4R)-4-[(1R)-1-[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1nc(-c2ccc(C(F)(F)F)nc2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is POSCFQVOEFKTSG-ZYHUDNBSSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c1-10(12-5-17(28)24-8-12)29-18-13-9-27(2)26-15(13)6-14(25-18)11-3-4-16(23-7-11)19(20,21)22/h3-4,6-7,9-10,12H,5,8H2,1-2H3,(H,24,28)/t10-,12-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 405.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 122498425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).