pyrrolidin-1-yl-[2-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone

C22H19F3N8O — CID 155537876

IUPACpyrrolidin-1-yl-[2-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone
SMILESO=C(c1ccnc(Nc2nc3cc(Nc4ccc(C(F)(F)F)nc4)ncc3[nH]2)c1)N1CCCC1
InChIInChI=1S/C22H19F3N8O/c23-22(24,25)17-4-3-14(11-27-17)29-19-10-15-16(12-28-19)31-21(30-15)32-18-9-13(5-6-26-18)20(34)33-7-1-2-8-33/h3-6,9-12H,1-2,7-8H2,(H,28,29)(H2,26,30,31,32)
InChIKeyLRHJXHGTNPPBKK-UHFFFAOYSA-N
MW468.44 g/mol
LogP4.49
Rot. Bonds5

About pyrrolidin-1-yl-[2-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone

pyrrolidin-1-yl-[2-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone (PubChem CID 155537876) has the molecular formula C22H19F3N8O and a molecular weight of 468.44 g/mol. Its IUPAC name is pyrrolidin-1-yl-[2-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[2-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone
PubChem CID155537876
Molecular FormulaC22H19F3N8O
Molecular Weight468.44 g/mol
Exact Mass468.16
IUPAC Namepyrrolidin-1-yl-[2-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone
SMILESO=C(c1ccnc(Nc2nc3cc(Nc4ccc(C(F)(F)F)nc4)ncc3[nH]2)c1)N1CCCC1
InChIInChI=1S/C22H19F3N8O/c23-22(24,25)17-4-3-14(11-27-17)29-19-10-15-16(12-28-19)31-21(30-15)32-18-9-13(5-6-26-18)20(34)33-7-1-2-8-33/h3-6,9-12H,1-2,7-8H2,(H,28,29)(H2,26,30,31,32)
InChIKeyLRHJXHGTNPPBKK-UHFFFAOYSA-N
XLogP4.49
TPSA111.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[2-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone?
The IUPAC name of pyrrolidin-1-yl-[2-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone (CID 155537876) is pyrrolidin-1-yl-[2-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[2-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[2-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone is O=C(c1ccnc(Nc2nc3cc(Nc4ccc(C(F)(F)F)nc4)ncc3[nH]2)c1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[2-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone?
The InChIKey is LRHJXHGTNPPBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N8O/c23-22(24,25)17-4-3-14(11-27-17)29-19-10-15-16(12-28-19)31-21(30-15)32-18-9-13(5-6-26-18)20(34)33-7-1-2-8-33/h3-6,9-12H,1-2,7-8H2,(H,28,29)(H2,26,30,31,32).
What are the key properties of pyrrolidin-1-yl-[2-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone?
pyrrolidin-1-yl-[2-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone has a molecular weight of 468.44 g/mol, XLogP of 4.49, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[2-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]amino]-4-pyridinyl]methanone is sourced from PubChem (CID 155537876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).