2-fluoro-N-[4-[6-(1-hydroxybut-3-enyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide

C24H22FN5O2 — CID 170967748

IUPAC2-fluoro-N-[4-[6-(1-hydroxybut-3-enyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
SMILESC=CCC(O)c1cc(C)c(-c2cc3cnc(NC(=O)C4CC4F)cc3n3ccnc23)cn1
InChIInChI=1S/C24H22FN5O2/c1-3-4-21(31)19-7-13(2)17(12-27-19)15-8-14-11-28-22(29-24(32)16-9-18(16)25)10-20(14)30-6-5-26-23(15)30/h3,5-8,10-12,16,18,21,31H,1,4,9H2,2H3,(H,28,29,32)
InChIKeySOQAIIRESCETMD-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.16
Rot. Bonds6

About 2-fluoro-N-[4-[6-(1-hydroxybut-3-enyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide

2-fluoro-N-[4-[6-(1-hydroxybut-3-enyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide (PubChem CID 170967748) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 2-fluoro-N-[4-[6-(1-hydroxybut-3-enyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[6-(1-hydroxybut-3-enyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
PubChem CID170967748
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name2-fluoro-N-[4-[6-(1-hydroxybut-3-enyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
SMILESC=CCC(O)c1cc(C)c(-c2cc3cnc(NC(=O)C4CC4F)cc3n3ccnc23)cn1
InChIInChI=1S/C24H22FN5O2/c1-3-4-21(31)19-7-13(2)17(12-27-19)15-8-14-11-28-22(29-24(32)16-9-18(16)25)10-20(14)30-6-5-26-23(15)30/h3,5-8,10-12,16,18,21,31H,1,4,9H2,2H3,(H,28,29,32)
InChIKeySOQAIIRESCETMD-UHFFFAOYSA-N
XLogP4.16
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[5-fluoro-7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]oxane-4-carboxamide
CID 156283149
cis-(1S,2S)-2-fluoro-N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 71115368
US10214546, Example 114
CID 134472016
US10799507, Example 12
CID 135289831
N-[6-[3-(hydroxymethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide
CID 49790220
N-(2-(1-hydroxycyclopentyl)-1,7-naphthyridin-6-yl)cyclopropanecarboxamide
CID 57523996
2-{2-Fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl}-2-hydroxy-n-methylacetamide
CID 59420906
2-{2-Fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl}-2-hydroxy-n,n-dimethylacetamide
CID 59421025
6-(2-hydroxyethyl)-2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-8-ol
CID 68313681
2-[[8-(4-Methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-5,6,7,8-tetrahydro-1,6-naphthyridin-8-ol
CID 68314142
N-[2-(1-hydroxycyclohexyl)-1,7-naphthyridin-6-yl]cyclopropanecarboxamide
CID 71115033
(2S)-2-fluoro-N-[7-[4-methyl-6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-3-yl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 71128098

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[6-(1-hydroxybut-3-enyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-fluoro-N-[4-[6-(1-hydroxybut-3-enyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide (CID 170967748) is 2-fluoro-N-[4-[6-(1-hydroxybut-3-enyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-[4-[6-(1-hydroxybut-3-enyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-fluoro-N-[4-[6-(1-hydroxybut-3-enyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide is C=CCC(O)c1cc(C)c(-c2cc3cnc(NC(=O)C4CC4F)cc3n3ccnc23)cn1.
What is the InChIKey of 2-fluoro-N-[4-[6-(1-hydroxybut-3-enyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide?
The InChIKey is SOQAIIRESCETMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-3-4-21(31)19-7-13(2)17(12-27-19)15-8-14-11-28-22(29-24(32)16-9-18(16)25)10-20(14)30-6-5-26-23(15)30/h3,5-8,10-12,16,18,21,31H,1,4,9H2,2H3,(H,28,29,32).
What are the key properties of 2-fluoro-N-[4-[6-(1-hydroxybut-3-enyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide?
2-fluoro-N-[4-[6-(1-hydroxybut-3-enyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[6-(1-hydroxybut-3-enyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 170967748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).