2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

C26H26F2N8O2 — CID 130196796

IUPAC2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C(=O)NCCO)C5)ncc3F)cc2n1C1CC1
InChIInChI=1S/C26H26F2N8O2/c1-14-31-24-18(27)10-16(11-21(24)36(14)17-3-4-17)23-19(28)12-30-25(34-23)33-22-5-2-15-13-35(8-6-20(15)32-22)26(38)29-7-9-37/h2,5,10-12,17,37H,3-4,6-9,13H2,1H3,(H,29,38)(H,30,32,33,34)
InChIKeyXTSFMAFWRLGELC-UHFFFAOYSA-N
MW520.54 g/mol
LogP3.61
Rot. Bonds6

About 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (PubChem CID 130196796) has the molecular formula C26H26F2N8O2 and a molecular weight of 520.54 g/mol. Its IUPAC name is 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.

Molecular Properties

Compound Name2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
PubChem CID130196796
Molecular FormulaC26H26F2N8O2
Molecular Weight520.54 g/mol
Exact Mass520.21
IUPAC Name2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C(=O)NCCO)C5)ncc3F)cc2n1C1CC1
InChIInChI=1S/C26H26F2N8O2/c1-14-31-24-18(27)10-16(11-21(24)36(14)17-3-4-17)23-19(28)12-30-25(34-23)33-22-5-2-15-13-35(8-6-20(15)32-22)26(38)29-7-9-37/h2,5,10-12,17,37H,3-4,6-9,13H2,1H3,(H,29,38)(H,30,32,33,34)
InChIKeyXTSFMAFWRLGELC-UHFFFAOYSA-N
XLogP3.61
TPSA121.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.54
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The IUPAC name of 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (CID 130196796) is 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.
What is the SMILES notation for 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The canonical SMILES for 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C(=O)NCCO)C5)ncc3F)cc2n1C1CC1.
What is the InChIKey of 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The InChIKey is XTSFMAFWRLGELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N8O2/c1-14-31-24-18(27)10-16(11-21(24)36(14)17-3-4-17)23-19(28)12-30-25(34-23)33-22-5-2-15-13-35(8-6-20(15)32-22)26(38)29-7-9-37/h2,5,10-12,17,37H,3-4,6-9,13H2,1H3,(H,29,38)(H,30,32,33,34).
What are the key properties of 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide has a molecular weight of 520.54 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-cyclopropyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is sourced from PubChem (CID 130196796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).