2-[4-[4-[3-fluoro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]acetamide

C22H25F2N7O — CID 166749933

IUPAC2-[4-[4-[3-fluoro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(n2cc(-c3c(F)cnc4ccc(N5CCC(F)C5)nc34)cn2)CC1
InChIInChI=1S/C22H25F2N7O/c23-15-3-8-30(12-15)20-2-1-18-22(28-20)21(17(24)10-26-18)14-9-27-31(11-14)16-4-6-29(7-5-16)13-19(25)32/h1-2,9-11,15-16H,3-8,12-13H2,(H2,25,32)
InChIKeyWBBQRSIYSAJHJO-UHFFFAOYSA-N
MW441.49 g/mol
LogP2.30
Rot. Bonds5

About 2-[4-[4-[3-fluoro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]acetamide

2-[4-[4-[3-fluoro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]acetamide (PubChem CID 166749933) has the molecular formula C22H25F2N7O and a molecular weight of 441.49 g/mol. Its IUPAC name is 2-[4-[4-[3-fluoro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[4-[3-fluoro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]acetamide
PubChem CID166749933
Molecular FormulaC22H25F2N7O
Molecular Weight441.49 g/mol
Exact Mass441.21
IUPAC Name2-[4-[4-[3-fluoro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(n2cc(-c3c(F)cnc4ccc(N5CCC(F)C5)nc34)cn2)CC1
InChIInChI=1S/C22H25F2N7O/c23-15-3-8-30(12-15)20-2-1-18-22(28-20)21(17(24)10-26-18)14-9-27-31(11-14)16-4-6-29(7-5-16)13-19(25)32/h1-2,9-11,15-16H,3-8,12-13H2,(H2,25,32)
InChIKeyWBBQRSIYSAJHJO-UHFFFAOYSA-N
XLogP2.30
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[3-fluoro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[4-[3-fluoro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]acetamide (CID 166749933) is 2-[4-[4-[3-fluoro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[4-[3-fluoro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[4-[3-fluoro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]acetamide is NC(=O)CN1CCC(n2cc(-c3c(F)cnc4ccc(N5CCC(F)C5)nc34)cn2)CC1.
What is the InChIKey of 2-[4-[4-[3-fluoro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]acetamide?
The InChIKey is WBBQRSIYSAJHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N7O/c23-15-3-8-30(12-15)20-2-1-18-22(28-20)21(17(24)10-26-18)14-9-27-31(11-14)16-4-6-29(7-5-16)13-19(25)32/h1-2,9-11,15-16H,3-8,12-13H2,(H2,25,32).
What are the key properties of 2-[4-[4-[3-fluoro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]acetamide?
2-[4-[4-[3-fluoro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]acetamide has a molecular weight of 441.49 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[3-fluoro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 166749933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).