[(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[3-[3-[3-pyrimidin-2-yl-2-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridin-7-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]methanone

C51H42F3N11O3 — CID 170978065

IUPAC[(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[3-[3-[3-pyrimidin-2-yl-2-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridin-7-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]methanone
SMILESO=C(c1nn2ccccc2c1-c1cccc(-c2cccc3c(-c4ncccn4)c(C(=O)N4CCC[C@H]4COc4ccc(C(F)(F)F)cn4)nn23)c1)N1CCC[C@H]1Cn1cnc(-c2ccccc2)c1
InChIInChI=1S/C51H42F3N11O3/c52-51(53,54)36-20-21-43(57-28-36)68-31-38-16-9-25-63(38)50(67)47-45(48-55-22-10-23-56-48)42-19-7-18-40(65(42)60-47)34-13-6-14-35(27-34)44-41-17-4-5-26-64(41)59-46(44)49(66)62-24-8-15-37(62)29-61-30-39(58-32-61)33-11-2-1-3-12-33/h1-7,10-14,17-23,26-28,30,32,37-38H,8-9,15-16,24-25,29,31H2/t37-,38-/m0/s1
InChIKeySYCLNXPBJDGOFC-UWXQCODUSA-N
MW913.97 g/mol
LogP9.04
Rot. Bonds11

About [(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[3-[3-[3-pyrimidin-2-yl-2-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridin-7-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]methanone

[(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[3-[3-[3-pyrimidin-2-yl-2-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridin-7-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]methanone (PubChem CID 170978065) has the molecular formula C51H42F3N11O3 and a molecular weight of 913.97 g/mol. Its IUPAC name is [(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[3-[3-[3-pyrimidin-2-yl-2-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridin-7-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[3-[3-[3-pyrimidin-2-yl-2-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridin-7-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]methanone
PubChem CID170978065
Molecular FormulaC51H42F3N11O3
Molecular Weight913.97 g/mol
Exact Mass913.34
IUPAC Name[(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[3-[3-[3-pyrimidin-2-yl-2-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridin-7-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]methanone
SMILESO=C(c1nn2ccccc2c1-c1cccc(-c2cccc3c(-c4ncccn4)c(C(=O)N4CCC[C@H]4COc4ccc(C(F)(F)F)cn4)nn23)c1)N1CCC[C@H]1Cn1cnc(-c2ccccc2)c1
InChIInChI=1S/C51H42F3N11O3/c52-51(53,54)36-20-21-43(57-28-36)68-31-38-16-9-25-63(38)50(67)47-45(48-55-22-10-23-56-48)42-19-7-18-40(65(42)60-47)34-13-6-14-35(27-34)44-41-17-4-5-26-64(41)59-46(44)49(66)62-24-8-15-37(62)29-61-30-39(58-32-61)33-11-2-1-3-12-33/h1-7,10-14,17-23,26-28,30,32,37-38H,8-9,15-16,24-25,29,31H2/t37-,38-/m0/s1
InChIKeySYCLNXPBJDGOFC-UWXQCODUSA-N
XLogP9.04
TPSA140.94 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500913.97
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze [(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[3-[3-[3-pyrimidin-2-yl-2-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridin-7-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[3-[3-[3-pyrimidin-2-yl-2-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridin-7-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]methanone?
The IUPAC name of [(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[3-[3-[3-pyrimidin-2-yl-2-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridin-7-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]methanone (CID 170978065) is [(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[3-[3-[3-pyrimidin-2-yl-2-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridin-7-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]methanone.
What is the SMILES notation for [(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[3-[3-[3-pyrimidin-2-yl-2-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridin-7-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]methanone?
The canonical SMILES for [(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[3-[3-[3-pyrimidin-2-yl-2-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridin-7-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]methanone is O=C(c1nn2ccccc2c1-c1cccc(-c2cccc3c(-c4ncccn4)c(C(=O)N4CCC[C@H]4COc4ccc(C(F)(F)F)cn4)nn23)c1)N1CCC[C@H]1Cn1cnc(-c2ccccc2)c1.
What is the InChIKey of [(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[3-[3-[3-pyrimidin-2-yl-2-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridin-7-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]methanone?
The InChIKey is SYCLNXPBJDGOFC-UWXQCODUSA-N. The full InChI is InChI=1S/C51H42F3N11O3/c52-51(53,54)36-20-21-43(57-28-36)68-31-38-16-9-25-63(38)50(67)47-45(48-55-22-10-23-56-48)42-19-7-18-40(65(42)60-47)34-13-6-14-35(27-34)44-41-17-4-5-26-64(41)59-46(44)49(66)62-24-8-15-37(62)29-61-30-39(58-32-61)33-11-2-1-3-12-33/h1-7,10-14,17-23,26-28,30,32,37-38H,8-9,15-16,24-25,29,31H2/t37-,38-/m0/s1.
What are the key properties of [(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[3-[3-[3-pyrimidin-2-yl-2-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridin-7-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]methanone?
[(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[3-[3-[3-pyrimidin-2-yl-2-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridin-7-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]methanone has a molecular weight of 913.97 g/mol, XLogP of 9.04, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]-[3-[3-[3-pyrimidin-2-yl-2-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyridin-7-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]methanone is sourced from PubChem (CID 170978065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).