3-[(4R)-4-fluoro-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl]-6-N-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-yl)-2,7-naphthyridine-1,6-diamine

C26H24FN9O — CID 139468903

IUPAC3-[(4R)-4-fluoro-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl]-6-N-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-yl)-2,7-naphthyridine-1,6-diamine
SMILESCc1c(-c2cc3cc(Nc4cc5n(n4)Cc4nccn4CC5)ncc3c(N)n2)cnc2c1[C@H](F)CCO2
InChIInChI=1S/C26H24FN9O/c1-14-17(11-31-26-24(14)19(27)3-7-37-26)20-8-15-9-21(30-12-18(15)25(28)32-20)33-22-10-16-2-5-35-6-4-29-23(35)13-36(16)34-22/h4,6,8-12,19H,2-3,5,7,13H2,1H3,(H2,28,32)(H,30,33,34)/t19-/m1/s1
InChIKeySYRYVDBIQYRBPQ-LJQANCHMSA-N
MW497.54 g/mol
LogP4.12
Rot. Bonds3

About 3-[(4R)-4-fluoro-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl]-6-N-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-yl)-2,7-naphthyridine-1,6-diamine

3-[(4R)-4-fluoro-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl]-6-N-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-yl)-2,7-naphthyridine-1,6-diamine (PubChem CID 139468903) has the molecular formula C26H24FN9O and a molecular weight of 497.54 g/mol. Its IUPAC name is 3-[(4R)-4-fluoro-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl]-6-N-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-yl)-2,7-naphthyridine-1,6-diamine.

Molecular Properties

Compound Name3-[(4R)-4-fluoro-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl]-6-N-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-yl)-2,7-naphthyridine-1,6-diamine
PubChem CID139468903
Molecular FormulaC26H24FN9O
Molecular Weight497.54 g/mol
Exact Mass497.21
IUPAC Name3-[(4R)-4-fluoro-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl]-6-N-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-yl)-2,7-naphthyridine-1,6-diamine
SMILESCc1c(-c2cc3cc(Nc4cc5n(n4)Cc4nccn4CC5)ncc3c(N)n2)cnc2c1[C@H](F)CCO2
InChIInChI=1S/C26H24FN9O/c1-14-17(11-31-26-24(14)19(27)3-7-37-26)20-8-15-9-21(30-12-18(15)25(28)32-20)33-22-10-16-2-5-35-6-4-29-23(35)13-36(16)34-22/h4,6,8-12,19H,2-3,5,7,13H2,1H3,(H2,28,32)(H,30,33,34)/t19-/m1/s1
InChIKeySYRYVDBIQYRBPQ-LJQANCHMSA-N
XLogP4.12
TPSA121.59 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.54
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[(4R)-4-fluoro-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl]-6-N-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-yl)-2,7-naphthyridine-1,6-diamine with MolForge

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Related Compounds

6-N-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-yl)-3-(2,2,7-trimethyl-1,3-dihydropyrrolo[3,2-b]pyridin-6-yl)-2,7-naphthyridine-1,6-diamine
CID 139469040
6-(3-amino-9-methyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-b]pyridin-8-yl)-7-fluoro-3-N-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-yl)isoquinoline-3,8-diamine
CID 140921587
2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-(5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5S)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-[(5R)-5-fluoro-4-methyl-5,6,7,8-tetrahydroquinolin-3-yl]-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one
CID 157364687
2-[[7-fluoro-6-[(4R)-4-fluoro-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl]isoquinolin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
CID 159374919
7-fluoro-6-[4-methyl-5-(methylsulfanylamino)-3-pyridinyl]-3-N-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-yl)isoquinoline-3,8-diamine
CID 142447867
2-[[8-amino-6-(3-hydroxy-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one
CID 135345210
2-[[8-amino-6-(8-hydroxy-4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
CID 135344919
2-[[8-amino-6-(3,3-dihydroxy-9-methyl-1,2-dihydropyrido[3,2-f][1,3,5]oxathiazepin-8-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one
CID 174200405
2-[[8-amino-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
CID 135345127
2-[[8-amino-6-(7-methyl-2,2-dioxo-1,3-dihydro-[1,2]thiazolo[4,3-b]pyridin-6-yl)-2,7-naphthyridin-3-yl]amino]-6-methyl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
CID 139468934
8-amino-7-fluoro-N-methyl-N-(6-oxo-1H-pyridin-2-yl)-3-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-ylamino)isoquinoline-6-carboxamide
CID 135343038
2-[[8-amino-6-(2,7-dimethyl-3-methylidene-1H-pyrazolo[4,3-b]pyridin-6-yl)-2,7-naphthyridin-3-yl]amino]-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one
CID 158341777

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-fluoro-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl]-6-N-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-yl)-2,7-naphthyridine-1,6-diamine?
The IUPAC name of 3-[(4R)-4-fluoro-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl]-6-N-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-yl)-2,7-naphthyridine-1,6-diamine (CID 139468903) is 3-[(4R)-4-fluoro-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl]-6-N-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-yl)-2,7-naphthyridine-1,6-diamine.
What is the SMILES notation for 3-[(4R)-4-fluoro-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl]-6-N-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-yl)-2,7-naphthyridine-1,6-diamine?
The canonical SMILES for 3-[(4R)-4-fluoro-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl]-6-N-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-yl)-2,7-naphthyridine-1,6-diamine is Cc1c(-c2cc3cc(Nc4cc5n(n4)Cc4nccn4CC5)ncc3c(N)n2)cnc2c1[C@H](F)CCO2.
What is the InChIKey of 3-[(4R)-4-fluoro-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl]-6-N-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-yl)-2,7-naphthyridine-1,6-diamine?
The InChIKey is SYRYVDBIQYRBPQ-LJQANCHMSA-N. The full InChI is InChI=1S/C26H24FN9O/c1-14-17(11-31-26-24(14)19(27)3-7-37-26)20-8-15-9-21(30-12-18(15)25(28)32-20)33-22-10-16-2-5-35-6-4-29-23(35)13-36(16)34-22/h4,6,8-12,19H,2-3,5,7,13H2,1H3,(H2,28,32)(H,30,33,34)/t19-/m1/s1.
What are the key properties of 3-[(4R)-4-fluoro-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl]-6-N-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-yl)-2,7-naphthyridine-1,6-diamine?
3-[(4R)-4-fluoro-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl]-6-N-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-yl)-2,7-naphthyridine-1,6-diamine has a molecular weight of 497.54 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4-fluoro-5-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl]-6-N-(1,4,7,13-tetrazatricyclo[8.3.0.03,7]trideca-3,5,10,12-tetraen-12-yl)-2,7-naphthyridine-1,6-diamine is sourced from PubChem (CID 139468903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).