(6R)-6-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C22H20F3N5 — CID 170327621

IUPAC(6R)-6-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCc1c[nH]c2nccc(-c3c(-c4ccc(C(F)(F)F)cc4)nn4c3CN[C@H](C)C4)c12
InChIInChI=1S/C22H20F3N5/c1-12-9-28-21-18(12)16(7-8-26-21)19-17-10-27-13(2)11-30(17)29-20(19)14-3-5-15(6-4-14)22(23,24)25/h3-9,13,27H,10-11H2,1-2H3,(H,26,28)/t13-/m1/s1
InChIKeyFKGQSNQYUARFJV-CYBMUJFWSA-N
MW411.43 g/mol
LogP4.91
Rot. Bonds2

About (6R)-6-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

(6R)-6-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 170327621) has the molecular formula C22H20F3N5 and a molecular weight of 411.43 g/mol. Its IUPAC name is (6R)-6-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name(6R)-6-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID170327621
Molecular FormulaC22H20F3N5
Molecular Weight411.43 g/mol
Exact Mass411.17
IUPAC Name(6R)-6-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCc1c[nH]c2nccc(-c3c(-c4ccc(C(F)(F)F)cc4)nn4c3CN[C@H](C)C4)c12
InChIInChI=1S/C22H20F3N5/c1-12-9-28-21-18(12)16(7-8-26-21)19-17-10-27-13(2)11-30(17)29-20(19)14-3-5-15(6-4-14)22(23,24)25/h3-9,13,27H,10-11H2,1-2H3,(H,26,28)/t13-/m1/s1
InChIKeyFKGQSNQYUARFJV-CYBMUJFWSA-N
XLogP4.91
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of (6R)-6-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 170327621) is (6R)-6-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for (6R)-6-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for (6R)-6-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is Cc1c[nH]c2nccc(-c3c(-c4ccc(C(F)(F)F)cc4)nn4c3CN[C@H](C)C4)c12.
What is the InChIKey of (6R)-6-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is FKGQSNQYUARFJV-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H20F3N5/c1-12-9-28-21-18(12)16(7-8-26-21)19-17-10-27-13(2)11-30(17)29-20(19)14-3-5-15(6-4-14)22(23,24)25/h3-9,13,27H,10-11H2,1-2H3,(H,26,28)/t13-/m1/s1.
What are the key properties of (6R)-6-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
(6R)-6-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 411.43 g/mol, XLogP of 4.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 170327621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).