2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

C26H28F2N8O2 — CID 130196801

IUPAC2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-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)cc2n1C(C)C
InChIInChI=1S/C26H28F2N8O2/c1-14(2)36-15(3)31-24-18(27)10-17(11-21(24)36)23-19(28)12-30-25(34-23)33-22-5-4-16-13-35(8-6-20(16)32-22)26(38)29-7-9-37/h4-5,10-12,14,37H,6-9,13H2,1-3H3,(H,29,38)(H,30,32,33,34)
InChIKeyVZPLQNFSKCQLPB-UHFFFAOYSA-N
MW522.56 g/mol
LogP3.86
Rot. Bonds6

About 2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (PubChem CID 130196801) has the molecular formula C26H28F2N8O2 and a molecular weight of 522.56 g/mol. Its IUPAC name is 2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.

Molecular Properties

Compound Name2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
PubChem CID130196801
Molecular FormulaC26H28F2N8O2
Molecular Weight522.56 g/mol
Exact Mass522.23
IUPAC Name2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-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)cc2n1C(C)C
InChIInChI=1S/C26H28F2N8O2/c1-14(2)36-15(3)31-24-18(27)10-17(11-21(24)36)23-19(28)12-30-25(34-23)33-22-5-4-16-13-35(8-6-20(16)32-22)26(38)29-7-9-37/h4-5,10-12,14,37H,6-9,13H2,1-3H3,(H,29,38)(H,30,32,33,34)
InChIKeyVZPLQNFSKCQLPB-UHFFFAOYSA-N
XLogP3.86
TPSA121.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.56
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-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-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The IUPAC name of 2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (CID 130196801) is 2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.
What is the SMILES notation for 2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The canonical SMILES for 2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-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)cc2n1C(C)C.
What is the InChIKey of 2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The InChIKey is VZPLQNFSKCQLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N8O2/c1-14(2)36-15(3)31-24-18(27)10-17(11-21(24)36)23-19(28)12-30-25(34-23)33-22-5-4-16-13-35(8-6-20(16)32-22)26(38)29-7-9-37/h4-5,10-12,14,37H,6-9,13H2,1-3H3,(H,29,38)(H,30,32,33,34).
What are the key properties of 2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide has a molecular weight of 522.56 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is sourced from PubChem (CID 130196801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).