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

C22H22F3N7 — CID 66897422

IUPAC4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESC[C@@H]1CN(Cc2cn[nH]c2-c2ccnc3[nH]ccc23)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C22H22F3N7/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/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,26,27)(H,29,30)/t14-/m1/s1
InChIKeyNJDQBNXPAKWUAM-CQSZACIVSA-N
MW441.46 g/mol
LogP4.08
Rot. Bonds4

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

4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 66897422) has the molecular formula C22H22F3N7 and a molecular weight of 441.46 g/mol. Its IUPAC name is 4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-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]-1H-pyrrolo[2,3-b]pyridine
PubChem CID66897422
Molecular FormulaC22H22F3N7
Molecular Weight441.46 g/mol
Exact Mass441.19
IUPAC Name4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESC[C@@H]1CN(Cc2cn[nH]c2-c2ccnc3[nH]ccc23)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C22H22F3N7/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/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,26,27)(H,29,30)/t14-/m1/s1
InChIKeyNJDQBNXPAKWUAM-CQSZACIVSA-N
XLogP4.08
TPSA76.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-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]-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]-1H-pyrrolo[2,3-b]pyridine (CID 66897422) is 4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-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]-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]-1H-pyrrolo[2,3-b]pyridine is C[C@@H]1CN(Cc2cn[nH]c2-c2ccnc3[nH]ccc23)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]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NJDQBNXPAKWUAM-CQSZACIVSA-N. The full InChI is InChI=1S/C22H22F3N7/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/h2-7,10-11,14H,8-9,12-13H2,1H3,(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]-1H-pyrrolo[2,3-b]pyridine?
4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 441.46 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 66897422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).