4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

C22H24F3N7 — CID 70961489

IUPAC4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESC[C@@H]1CN(Cc2cn[nH]c2-c2ccnc3c2CCN3)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C22H24F3N7/c1-14-12-31(8-9-32(14)19-3-2-16(11-28-19)22(23,24)25)13-15-10-29-30-20(15)17-4-6-26-21-18(17)5-7-27-21/h2-4,6,10-11,14H,5,7-9,12-13H2,1H3,(H,26,27)(H,29,30)/t14-/m1/s1
InChIKeyKRUSSOORWZKGCC-CQSZACIVSA-N
MW443.48 g/mol
LogP3.56
Rot. Bonds4

About 4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 70961489) has the molecular formula C22H24F3N7 and a molecular weight of 443.48 g/mol. Its IUPAC name is 4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID70961489
Molecular FormulaC22H24F3N7
Molecular Weight443.48 g/mol
Exact Mass443.20
IUPAC Name4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESC[C@@H]1CN(Cc2cn[nH]c2-c2ccnc3c2CCN3)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C22H24F3N7/c1-14-12-31(8-9-32(14)19-3-2-16(11-28-19)22(23,24)25)13-15-10-29-30-20(15)17-4-6-26-21-18(17)5-7-27-21/h2-4,6,10-11,14H,5,7-9,12-13H2,1H3,(H,26,27)(H,29,30)/t14-/m1/s1
InChIKeyKRUSSOORWZKGCC-CQSZACIVSA-N
XLogP3.56
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 70961489) is 4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is C[C@@H]1CN(Cc2cn[nH]c2-c2ccnc3c2CCN3)CCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KRUSSOORWZKGCC-CQSZACIVSA-N. The full InChI is InChI=1S/C22H24F3N7/c1-14-12-31(8-9-32(14)19-3-2-16(11-28-19)22(23,24)25)13-15-10-29-30-20(15)17-4-6-26-21-18(17)5-7-27-21/h2-4,6,10-11,14H,5,7-9,12-13H2,1H3,(H,26,27)(H,29,30)/t14-/m1/s1.
What are the key properties of 4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 443.48 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 70961489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).