4-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-ylindole-2,3-dione

C23H21FN6O2 — CID 175728285

IUPAC4-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-ylindole-2,3-dione
SMILESCC(C)N1C(=O)C(=O)c2c(-c3nc(Nc4ccc5c(n4)CCNC5)ncc3F)cccc21
InChIInChI=1S/C23H21FN6O2/c1-12(2)30-17-5-3-4-14(19(17)21(31)22(30)32)20-15(24)11-26-23(29-20)28-18-7-6-13-10-25-9-8-16(13)27-18/h3-7,11-12,25H,8-10H2,1-2H3,(H,26,27,28,29)
InChIKeyYFIWYQSGPKOQDN-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.00
Rot. Bonds4

About 4-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-ylindole-2,3-dione

4-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-ylindole-2,3-dione (PubChem CID 175728285) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is 4-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-ylindole-2,3-dione.

Molecular Properties

Compound Name4-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-ylindole-2,3-dione
PubChem CID175728285
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC Name4-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-ylindole-2,3-dione
SMILESCC(C)N1C(=O)C(=O)c2c(-c3nc(Nc4ccc5c(n4)CCNC5)ncc3F)cccc21
InChIInChI=1S/C23H21FN6O2/c1-12(2)30-17-5-3-4-14(19(17)21(31)22(30)32)20-15(24)11-26-23(29-20)28-18-7-6-13-10-25-9-8-16(13)27-18/h3-7,11-12,25H,8-10H2,1-2H3,(H,26,27,28,29)
InChIKeyYFIWYQSGPKOQDN-UHFFFAOYSA-N
XLogP3.00
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-ylindole-2,3-dione with MolForge

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Related Compounds

5-fluoro-7-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-yl-2,4-dihydroquinolin-3-one
CID 166121117
N-[5-fluoro-4-(8-fluoro-1,1-dioxo-4-propan-2-yl-2,3-dihydro-1λ6,4-benzothiazin-6-yl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
CID 166121083
N-[5-fluoro-4-[7-(fluoromethyl)-2-methyl-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
CID 145344063
N-[5-fluoro-4-[7-(fluoromethyl)-2-methyl-3-propan-2-ylbenzimidazol-5-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine;methane
CID 145344062
N-[5-fluoro-4-[8-fluoro-4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrimidin-2-yl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine
CID 139390194
tert-butyl N-[2-[2-[[4-(2,3-dioxo-1-propan-2-ylindol-6-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-N-methylcarbamate
CID 135202714
8-fluoro-6-[5-fluoro-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidin-4-yl]-4-propan-2-yl-1,4-benzoxazin-3-one
CID 139410007
6-[5-fluoro-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidin-4-yl]-8-methyl-4-propan-2-yl-1,4-benzoxazin-3-one
CID 139410014
6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-3-propan-2-yl-1,2-dihydrobenzotriazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 135202518
N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 139390064
N-[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzothiazin-6-yl)pyrimidin-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 166121036
6-ethyl-N-[5-fluoro-4-(1,1,5-trimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 158974724

Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-ylindole-2,3-dione?
The IUPAC name of 4-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-ylindole-2,3-dione (CID 175728285) is 4-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-ylindole-2,3-dione.
What is the SMILES notation for 4-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-ylindole-2,3-dione?
The canonical SMILES for 4-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-ylindole-2,3-dione is CC(C)N1C(=O)C(=O)c2c(-c3nc(Nc4ccc5c(n4)CCNC5)ncc3F)cccc21.
What is the InChIKey of 4-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-ylindole-2,3-dione?
The InChIKey is YFIWYQSGPKOQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-12(2)30-17-5-3-4-14(19(17)21(31)22(30)32)20-15(24)11-26-23(29-20)28-18-7-6-13-10-25-9-8-16(13)27-18/h3-7,11-12,25H,8-10H2,1-2H3,(H,26,27,28,29).
What are the key properties of 4-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-ylindole-2,3-dione?
4-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-ylindole-2,3-dione has a molecular weight of 432.46 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylamino)pyrimidin-4-yl]-1-propan-2-ylindole-2,3-dione is sourced from PubChem (CID 175728285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).