N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[[(2S)-morpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine

C28H32F2N8O — CID 154612573

IUPACN-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[[(2S)-morpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C[C@@H]4CNCCO4)C5)ncc3F)cc2n1C(C)C
InChIInChI=1S/C28H32F2N8O/c1-16(2)38-17(3)33-27-21(29)10-19(11-24(27)38)26-22(30)13-32-28(36-26)35-25-5-4-18-14-37(8-6-23(18)34-25)15-20-12-31-7-9-39-20/h4-5,10-11,13,16,20,31H,6-9,12,14-15H2,1-3H3,(H,32,34,35,36)/t20-/m0/s1
InChIKeyPUXKEKPYASIYGT-FQEVSTJZSA-N
MW534.62 g/mol
LogP4.15
Rot. Bonds6

About N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[[(2S)-morpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine

N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[[(2S)-morpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine (PubChem CID 154612573) has the molecular formula C28H32F2N8O and a molecular weight of 534.62 g/mol. Its IUPAC name is N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[[(2S)-morpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine.

Molecular Properties

Compound NameN-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[[(2S)-morpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
PubChem CID154612573
Molecular FormulaC28H32F2N8O
Molecular Weight534.62 g/mol
Exact Mass534.27
IUPAC NameN-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[[(2S)-morpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C[C@@H]4CNCCO4)C5)ncc3F)cc2n1C(C)C
InChIInChI=1S/C28H32F2N8O/c1-16(2)38-17(3)33-27-21(29)10-19(11-24(27)38)26-22(30)13-32-28(36-26)35-25-5-4-18-14-37(8-6-23(18)34-25)15-20-12-31-7-9-39-20/h4-5,10-11,13,16,20,31H,6-9,12,14-15H2,1-3H3,(H,32,34,35,36)/t20-/m0/s1
InChIKeyPUXKEKPYASIYGT-FQEVSTJZSA-N
XLogP4.15
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.62
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[[(2S)-morpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[[(2S)-morpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The IUPAC name of N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[[(2S)-morpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine (CID 154612573) is N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[[(2S)-morpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine.
What is the SMILES notation for N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[[(2S)-morpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The canonical SMILES for N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[[(2S)-morpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine is Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(C[C@@H]4CNCCO4)C5)ncc3F)cc2n1C(C)C.
What is the InChIKey of N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[[(2S)-morpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The InChIKey is PUXKEKPYASIYGT-FQEVSTJZSA-N. The full InChI is InChI=1S/C28H32F2N8O/c1-16(2)38-17(3)33-27-21(29)10-19(11-24(27)38)26-22(30)13-32-28(36-26)35-25-5-4-18-14-37(8-6-23(18)34-25)15-20-12-31-7-9-39-20/h4-5,10-11,13,16,20,31H,6-9,12,14-15H2,1-3H3,(H,32,34,35,36)/t20-/m0/s1.
What are the key properties of N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[[(2S)-morpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[[(2S)-morpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine has a molecular weight of 534.62 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[[(2S)-morpholin-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine is sourced from PubChem (CID 154612573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).