N-[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine

C26H30FN7S — CID 164709773

IUPACN-[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine
SMILESCCN1CC2(CC(c3ccc(Nc4ncc(F)c(-c5cc6nc(C)n(C(C)C)c6s5)n4)nc3)C2)C1
InChIInChI=1S/C26H30FN7S/c1-5-33-13-26(14-33)9-18(10-26)17-6-7-22(28-11-17)31-25-29-12-19(27)23(32-25)21-8-20-24(35-21)34(15(2)3)16(4)30-20/h6-8,11-12,15,18H,5,9-10,13-14H2,1-4H3,(H,28,29,31,32)
InChIKeyWVZHIWKRRWPURP-UHFFFAOYSA-N
MW491.64 g/mol
LogP5.92
Rot. Bonds6

About N-[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine

N-[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine (PubChem CID 164709773) has the molecular formula C26H30FN7S and a molecular weight of 491.64 g/mol. Its IUPAC name is N-[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine
PubChem CID164709773
Molecular FormulaC26H30FN7S
Molecular Weight491.64 g/mol
Exact Mass491.23
IUPAC NameN-[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine
SMILESCCN1CC2(CC(c3ccc(Nc4ncc(F)c(-c5cc6nc(C)n(C(C)C)c6s5)n4)nc3)C2)C1
InChIInChI=1S/C26H30FN7S/c1-5-33-13-26(14-33)9-18(10-26)17-6-7-22(28-11-17)31-25-29-12-19(27)23(32-25)21-8-20-24(35-21)34(15(2)3)16(4)30-20/h6-8,11-12,15,18H,5,9-10,13-14H2,1-4H3,(H,28,29,31,32)
InChIKeyWVZHIWKRRWPURP-UHFFFAOYSA-N
XLogP5.92
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

Ikk-IN-3
CID 10215156
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
4-(4-fluorophenyl)-12-methyl-N-[2-(piperidin-1-yl)ethyl]-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 25263294
4-[6-(4-Fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 44579300
N-(2-aminoethyl)-12-methyl-4-(pyridin-3-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093433
N-(2-aminoethyl)-12-methyl-4-(pyridin-4-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093434
Ikk-IN-4
CID 25093448
4-[2-[(Dimethylamino)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 44579299
6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrido[3,2-d]pyrimidin-4-amine
CID 68310823
6-{4-[4-(4-Fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-5-(2-methyl-thiazol-5-yl)-pyrimidin-4-ylamine
CID 89445432

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine?
The IUPAC name of N-[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine (CID 164709773) is N-[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine?
The canonical SMILES for N-[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine is CCN1CC2(CC(c3ccc(Nc4ncc(F)c(-c5cc6nc(C)n(C(C)C)c6s5)n4)nc3)C2)C1.
What is the InChIKey of N-[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine?
The InChIKey is WVZHIWKRRWPURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7S/c1-5-33-13-26(14-33)9-18(10-26)17-6-7-22(28-11-17)31-25-29-12-19(27)23(32-25)21-8-20-24(35-21)34(15(2)3)16(4)30-20/h6-8,11-12,15,18H,5,9-10,13-14H2,1-4H3,(H,28,29,31,32).
What are the key properties of N-[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine?
N-[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine has a molecular weight of 491.64 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 164709773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).