(1R)-N-[4-(6-but-3-enyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide

C24H22FN5O — CID 170968219

IUPAC(1R)-N-[4-(6-but-3-enyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide
SMILESC=CCCc1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4CC4F)cc3n3ccnc23)cn1
InChIInChI=1S/C24H22FN5O/c1-3-4-5-16-8-14(2)19(13-27-16)17-9-15-12-28-22(29-24(31)18-10-20(18)25)11-21(15)30-7-6-26-23(17)30/h3,6-9,11-13,18,20H,1,4-5,10H2,2H3,(H,28,29,31)/t18-,20?/m0/s1
InChIKeyPBFZPDQNNDCHQZ-LROBGIAVSA-N
MW415.47 g/mol
LogP4.67
Rot. Bonds6

About (1R)-N-[4-(6-but-3-enyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide

(1R)-N-[4-(6-but-3-enyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 170968219) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is (1R)-N-[4-(6-but-3-enyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[4-(6-but-3-enyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID170968219
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name(1R)-N-[4-(6-but-3-enyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide
SMILESC=CCCc1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4CC4F)cc3n3ccnc23)cn1
InChIInChI=1S/C24H22FN5O/c1-3-4-5-16-8-14(2)19(13-27-16)17-9-15-12-28-22(29-24(31)18-10-20(18)25)11-21(15)30-7-6-26-23(17)30/h3,6-9,11-13,18,20H,1,4-5,10H2,2H3,(H,28,29,31)/t18-,20?/m0/s1
InChIKeyPBFZPDQNNDCHQZ-LROBGIAVSA-N
XLogP4.67
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R)-N-[4-(6-but-3-enyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide with MolForge

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Related Compounds

cis-(1R,2R)-2-fluoro-N-[4-[6-[(1R)-1-hydroxybut-3-enyl]-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
CID 170967865
cis-(1R,2R)-2-fluoro-N-[4-(4-methyl-6-propanoyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
CID 170967989
cis-(1R,2R)-2-fluoro-N-[4-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
CID 170967810
cis-(1R,2R)-N-[3-[6-[(1R)-1-deuterio-1-hydroxybut-3-enyl]-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide
CID 171556491
cis-(1R,2R)-N-[4-(6-butanoyl-4-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide
CID 175997937
N-[4-(6-butanoyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]acetamide
CID 170967948
cis-(1S,2S)-2-fluoro-N-[4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
CID 170967871
N-[1-ethyl-3-(4-methyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide
CID 166123847
(1R)-2,2-difluoro-N-[4-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]-2-methylimidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
CID 174212289
cis-(1R,2R)-N-[1-bromo-4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide
CID 175997951
cis-(1R,2R)-2-fluoro-N-[3-[6-[(1S)-1-hydroxyethyl]-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123775
cis-(1S,2S)-2-fluoro-N-[4-[6-(1-hydroxybutyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
CID 170968422

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[4-(6-but-3-enyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-[4-(6-but-3-enyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide (CID 170968219) is (1R)-N-[4-(6-but-3-enyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-[4-(6-but-3-enyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-[4-(6-but-3-enyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide is C=CCCc1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4CC4F)cc3n3ccnc23)cn1.
What is the InChIKey of (1R)-N-[4-(6-but-3-enyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is PBFZPDQNNDCHQZ-LROBGIAVSA-N. The full InChI is InChI=1S/C24H22FN5O/c1-3-4-5-16-8-14(2)19(13-27-16)17-9-15-12-28-22(29-24(31)18-10-20(18)25)11-21(15)30-7-6-26-23(17)30/h3,6-9,11-13,18,20H,1,4-5,10H2,2H3,(H,28,29,31)/t18-,20?/m0/s1.
What are the key properties of (1R)-N-[4-(6-but-3-enyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide?
(1R)-N-[4-(6-but-3-enyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[4-(6-but-3-enyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 170968219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).