3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]propanamide

C24H23F3N8O2 — CID 126484340

IUPAC3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]propanamide
SMILESO=C(CCN1CC[C@@H](O)C1)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)ccn1
InChIInChI=1S/C24H23F3N8O2/c25-24(26,27)19-5-1-3-17(30-19)22-32-23(18-4-2-10-35(18)33-22)29-15-6-9-28-20(13-15)31-21(37)8-12-34-11-7-16(36)14-34/h1-6,9-10,13,16,36H,7-8,11-12,14H2,(H2,28,29,31,32,33,37)/t16-/m1/s1
InChIKeyVLUFUZQHCMRCRM-MRXNPFEDSA-N
MW512.50 g/mol
LogP3.34
Rot. Bonds7

About 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]propanamide

3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]propanamide (PubChem CID 126484340) has the molecular formula C24H23F3N8O2 and a molecular weight of 512.50 g/mol. Its IUPAC name is 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]propanamide
PubChem CID126484340
Molecular FormulaC24H23F3N8O2
Molecular Weight512.50 g/mol
Exact Mass512.19
IUPAC Name3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]propanamide
SMILESO=C(CCN1CC[C@@H](O)C1)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)ccn1
InChIInChI=1S/C24H23F3N8O2/c25-24(26,27)19-5-1-3-17(30-19)22-32-23(18-4-2-10-35(18)33-22)29-15-6-9-28-20(13-15)31-21(37)8-12-34-11-7-16(36)14-34/h1-6,9-10,13,16,36H,7-8,11-12,14H2,(H2,28,29,31,32,33,37)/t16-/m1/s1
InChIKeyVLUFUZQHCMRCRM-MRXNPFEDSA-N
XLogP3.34
TPSA120.57 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.50
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]propanamide?
The IUPAC name of 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]propanamide (CID 126484340) is 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]propanamide.
What is the SMILES notation for 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]propanamide?
The canonical SMILES for 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]propanamide is O=C(CCN1CC[C@@H](O)C1)Nc1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)ccn1.
What is the InChIKey of 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]propanamide?
The InChIKey is VLUFUZQHCMRCRM-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H23F3N8O2/c25-24(26,27)19-5-1-3-17(30-19)22-32-23(18-4-2-10-35(18)33-22)29-15-6-9-28-20(13-15)31-21(37)8-12-34-11-7-16(36)14-34/h1-6,9-10,13,16,36H,7-8,11-12,14H2,(H2,28,29,31,32,33,37)/t16-/m1/s1.
What are the key properties of 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]propanamide?
3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]propanamide has a molecular weight of 512.50 g/mol, XLogP of 3.34, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]propanamide is sourced from PubChem (CID 126484340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).