N-[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[[(2R)-4-methylmorpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine

C30H36F2N8O — CID 130196700

IUPACN-[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[[(2R)-4-methylmorpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C[C@H]4CN(C)CCO4)C5)ncc3F)cc2n1C(C)(C)C
InChIInChI=1S/C30H36F2N8O/c1-18-34-28-22(31)12-20(13-25(28)40(18)30(2,3)4)27-23(32)14-33-29(37-27)36-26-7-6-19-15-39(9-8-24(19)35-26)17-21-16-38(5)10-11-41-21/h6-7,12-14,21H,8-11,15-17H2,1-5H3,(H,33,35,36,37)/t21-/m1/s1
InChIKeyPBDNNWWYSHCMCH-OAQYLSRUSA-N
MW562.67 g/mol
LogP4.66
Rot. Bonds5

About N-[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[[(2R)-4-methylmorpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine

N-[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[[(2R)-4-methylmorpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine (PubChem CID 130196700) has the molecular formula C30H36F2N8O and a molecular weight of 562.67 g/mol. Its IUPAC name is N-[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[[(2R)-4-methylmorpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine.

Molecular Properties

Compound NameN-[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[[(2R)-4-methylmorpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
PubChem CID130196700
Molecular FormulaC30H36F2N8O
Molecular Weight562.67 g/mol
Exact Mass562.30
IUPAC NameN-[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[[(2R)-4-methylmorpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C[C@H]4CN(C)CCO4)C5)ncc3F)cc2n1C(C)(C)C
InChIInChI=1S/C30H36F2N8O/c1-18-34-28-22(31)12-20(13-25(28)40(18)30(2,3)4)27-23(32)14-33-29(37-27)36-26-7-6-19-15-39(9-8-24(19)35-26)17-21-16-38(5)10-11-41-21/h6-7,12-14,21H,8-11,15-17H2,1-5H3,(H,33,35,36,37)/t21-/m1/s1
InChIKeyPBDNNWWYSHCMCH-OAQYLSRUSA-N
XLogP4.66
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.67
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[[(2R)-4-methylmorpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[[(2R)-4-methylmorpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The IUPAC name of N-[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[[(2R)-4-methylmorpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine (CID 130196700) is N-[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[[(2R)-4-methylmorpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine.
What is the SMILES notation for N-[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[[(2R)-4-methylmorpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The canonical SMILES for N-[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[[(2R)-4-methylmorpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine is Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C[C@H]4CN(C)CCO4)C5)ncc3F)cc2n1C(C)(C)C.
What is the InChIKey of N-[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[[(2R)-4-methylmorpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The InChIKey is PBDNNWWYSHCMCH-OAQYLSRUSA-N. The full InChI is InChI=1S/C30H36F2N8O/c1-18-34-28-22(31)12-20(13-25(28)40(18)30(2,3)4)27-23(32)14-33-29(37-27)36-26-7-6-19-15-39(9-8-24(19)35-26)17-21-16-38(5)10-11-41-21/h6-7,12-14,21H,8-11,15-17H2,1-5H3,(H,33,35,36,37)/t21-/m1/s1.
What are the key properties of N-[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[[(2R)-4-methylmorpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
N-[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[[(2R)-4-methylmorpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine has a molecular weight of 562.67 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[[(2R)-4-methylmorpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine is sourced from PubChem (CID 130196700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).