3-[[2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-2-methylpyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide

C21H21FN10O2 — CID 66971775

IUPAC3-[[2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-2-methylpyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide
SMILESCC1(C(=O)Nc2ccc(F)cn2)CCCN1c1nc(Nc2cc(C(N)=O)[nH]n2)n2cccc2n1
InChIInChI=1S/C21H21FN10O2/c1-21(18(34)25-14-6-5-12(22)11-24-14)7-3-9-32(21)20-27-16-4-2-8-31(16)19(28-20)26-15-10-13(17(23)33)29-30-15/h2,4-6,8,10-11H,3,7,9H2,1H3,(H2,23,33)(H,24,25,34)(H2,26,27,28,29,30)
InChIKeyJSISJADSDKIIQB-UHFFFAOYSA-N
MW464.47 g/mol
LogP1.83
Rot. Bonds6

About 3-[[2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-2-methylpyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide

3-[[2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-2-methylpyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide (PubChem CID 66971775) has the molecular formula C21H21FN10O2 and a molecular weight of 464.47 g/mol. Its IUPAC name is 3-[[2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-2-methylpyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[[2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-2-methylpyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide
PubChem CID66971775
Molecular FormulaC21H21FN10O2
Molecular Weight464.47 g/mol
Exact Mass464.18
IUPAC Name3-[[2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-2-methylpyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide
SMILESCC1(C(=O)Nc2ccc(F)cn2)CCCN1c1nc(Nc2cc(C(N)=O)[nH]n2)n2cccc2n1
InChIInChI=1S/C21H21FN10O2/c1-21(18(34)25-14-6-5-12(22)11-24-14)7-3-9-32(21)20-27-16-4-2-8-31(16)19(28-20)26-15-10-13(17(23)33)29-30-15/h2,4-6,8,10-11H,3,7,9H2,1H3,(H2,23,33)(H,24,25,34)(H2,26,27,28,29,30)
InChIKeyJSISJADSDKIIQB-UHFFFAOYSA-N
XLogP1.83
TPSA159.22 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-2-methylpyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[[2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-2-methylpyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide (CID 66971775) is 3-[[2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-2-methylpyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[[2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-2-methylpyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[[2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-2-methylpyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide is CC1(C(=O)Nc2ccc(F)cn2)CCCN1c1nc(Nc2cc(C(N)=O)[nH]n2)n2cccc2n1.
What is the InChIKey of 3-[[2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-2-methylpyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide?
The InChIKey is JSISJADSDKIIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN10O2/c1-21(18(34)25-14-6-5-12(22)11-24-14)7-3-9-32(21)20-27-16-4-2-8-31(16)19(28-20)26-15-10-13(17(23)33)29-30-15/h2,4-6,8,10-11H,3,7,9H2,1H3,(H2,23,33)(H,24,25,34)(H2,26,27,28,29,30).
What are the key properties of 3-[[2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-2-methylpyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide?
3-[[2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-2-methylpyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide has a molecular weight of 464.47 g/mol, XLogP of 1.83, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]-2-methylpyrrolidin-1-yl]pyrrolo[1,2-a][1,3,5]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 66971775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).