N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-2-pyridinyl]-5-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]methyl]pyrimidin-2-amine

C32H38F2N8O — CID 118221046

IUPACN-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-2-pyridinyl]-5-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]methyl]pyrimidin-2-amine
SMILESCc1nc2c(F)cc(-c3cc(Nc4ncc(CN5CCC(N6CC7CCC(C6)O7)CC5)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C32H38F2N8O/c1-19(2)42-20(3)38-31-27(33)10-22(11-29(31)42)26-12-30(35-15-28(26)34)39-32-36-13-21(14-37-32)16-40-8-6-23(7-9-40)41-17-24-4-5-25(18-41)43-24/h10-15,19,23-25H,4-9,16-18H2,1-3H3,(H,35,36,37,39)
InChIKeyGUWNPQFDOYYCHM-UHFFFAOYSA-N
MW588.71 g/mol
LogP5.63
Rot. Bonds7

About N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-2-pyridinyl]-5-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]methyl]pyrimidin-2-amine

N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-2-pyridinyl]-5-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]methyl]pyrimidin-2-amine (PubChem CID 118221046) has the molecular formula C32H38F2N8O and a molecular weight of 588.71 g/mol. Its IUPAC name is N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-2-pyridinyl]-5-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-2-pyridinyl]-5-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]methyl]pyrimidin-2-amine
PubChem CID118221046
Molecular FormulaC32H38F2N8O
Molecular Weight588.71 g/mol
Exact Mass588.31
IUPAC NameN-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-2-pyridinyl]-5-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]methyl]pyrimidin-2-amine
SMILESCc1nc2c(F)cc(-c3cc(Nc4ncc(CN5CCC(N6CC7CCC(C6)O7)CC5)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C32H38F2N8O/c1-19(2)42-20(3)38-31-27(33)10-22(11-29(31)42)26-12-30(35-15-28(26)34)39-32-36-13-21(14-37-32)16-40-8-6-23(7-9-40)41-17-24-4-5-25(18-41)43-24/h10-15,19,23-25H,4-9,16-18H2,1-3H3,(H,35,36,37,39)
InChIKeyGUWNPQFDOYYCHM-UHFFFAOYSA-N
XLogP5.63
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-2-pyridinyl]-5-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]methyl]pyrimidin-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

Related Compounds

5-[(2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-2-pyridinyl]pyrimidin-2-amine
CID 122668521
N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-2-pyridinyl]-5-[[(3S)-3-[2-(methylamino)ethyl]pyrrolidin-1-yl]methyl]pyrimidin-2-amine
CID 163984482
ethane;5-[(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-2-pyridinyl]pyrimidin-2-amine
CID 144878173
5-[[[(3R)-1-ethylpyrrolidin-3-yl]methyl-methylamino]methyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-2-pyridinyl]pyrimidin-2-amine
CID 135162212
N-[5-[[(3aS,6aR)-2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyridin-2-amine
CID 142733294
1-[[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyrimidin-5-yl]methyl]azetidin-3-ol
CID 118700824
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(piperidin-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine
CID 145006854
tert-butyl (4aS)-1-[[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-2-pyridinyl]amino]pyrimidin-5-yl]methyl]-7a-methyl-2,3,4,4a,5,7-hexahydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 163432913
N-[5-[(4-deuteriopiperidin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 175880453
N-[5-(2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-ylmethyl)-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 145006732
N-[5-[[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl]methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 118860067
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-2-amine;molecular hydrogen
CID 155579593

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-2-pyridinyl]-5-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-2-pyridinyl]-5-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]methyl]pyrimidin-2-amine (CID 118221046) is N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-2-pyridinyl]-5-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-2-pyridinyl]-5-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-2-pyridinyl]-5-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]methyl]pyrimidin-2-amine is Cc1nc2c(F)cc(-c3cc(Nc4ncc(CN5CCC(N6CC7CCC(C6)O7)CC5)cn4)ncc3F)cc2n1C(C)C.
What is the InChIKey of N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-2-pyridinyl]-5-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]methyl]pyrimidin-2-amine?
The InChIKey is GUWNPQFDOYYCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F2N8O/c1-19(2)42-20(3)38-31-27(33)10-22(11-29(31)42)26-12-30(35-15-28(26)34)39-32-36-13-21(14-37-32)16-40-8-6-23(7-9-40)41-17-24-4-5-25(18-41)43-24/h10-15,19,23-25H,4-9,16-18H2,1-3H3,(H,35,36,37,39).
What are the key properties of N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-2-pyridinyl]-5-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]methyl]pyrimidin-2-amine?
N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-2-pyridinyl]-5-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]methyl]pyrimidin-2-amine has a molecular weight of 588.71 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 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)-2-pyridinyl]-5-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 118221046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).