4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine

C28H30FN7S — CID 164709763

IUPAC4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine
SMILESCCN1CC2(C1)CN(c1ccc(Nc3ncc(F)c(-c4cc5nccc(C6CCCC6)c5s4)n3)nc1)C2
InChIInChI=1S/C28H30FN7S/c1-2-35-14-28(15-35)16-36(17-28)19-7-8-24(31-12-19)33-27-32-13-21(29)25(34-27)23-11-22-26(37-23)20(9-10-30-22)18-5-3-4-6-18/h7-13,18H,2-6,14-17H2,1H3,(H,31,32,33,34)
InChIKeyHMCYJQQOMHGLAU-UHFFFAOYSA-N
MW515.66 g/mol
LogP5.83
Rot. Bonds6

About 4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine

4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine (PubChem CID 164709763) has the molecular formula C28H30FN7S and a molecular weight of 515.66 g/mol. Its IUPAC name is 4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine
PubChem CID164709763
Molecular FormulaC28H30FN7S
Molecular Weight515.66 g/mol
Exact Mass515.23
IUPAC Name4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine
SMILESCCN1CC2(C1)CN(c1ccc(Nc3ncc(F)c(-c4cc5nccc(C6CCCC6)c5s4)n3)nc1)C2
InChIInChI=1S/C28H30FN7S/c1-2-35-14-28(15-35)16-36(17-28)19-7-8-24(31-12-19)33-27-32-13-21(29)25(34-27)23-11-22-26(37-23)20(9-10-30-22)18-5-3-4-6-18/h7-13,18H,2-6,14-17H2,1H3,(H,31,32,33,34)
InChIKeyHMCYJQQOMHGLAU-UHFFFAOYSA-N
XLogP5.83
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.66
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine with MolForge

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-phenylthieno[3,2-d]pyrimidin-2-amine
CID 164609501
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-pyridin-2-ylthieno[3,2-d]pyrimidin-2-amine
CID 164616904
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-2-amine
CID 164624174
N4-[3-(dimethylamino)propyl]-N2-methyl-6-[6-(trifluoromethyl)-3-pyridyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 76328816
2-N-(4-aminocyclohexyl)-9-propan-2-yl-6-N-[(6-thiophen-3-yl-3-pyridinyl)methyl]purine-2,6-diamine
CID 21362604
CID 141760869
CID 141760869
US20230303553, Example 13
CID 169073898
2-(6-methyl-2-pyridyl)-N-pyrimidin-4-yl-thieno[3,2-d]pyrimidin-4-amine
CID 10064615
6-(4-Fluorophenyl)-4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 16371129
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)thieno[3,2-d]pyrimidin-4-amine
CID 45272982
2-N-(4-aminocyclohexyl)-9-propan-2-yl-6-N-[(5-pyridin-3-ylthiophen-2-yl)methyl]purine-2,6-diamine;hydrochloride
CID 45483712
N-(4-(3H-imidazo[4,5-c]pyridin-2-ylamino)phenethyl)thieno[3,2-d]pyrimidin-4-amine
CID 46883085

Frequently Asked Questions

What is the IUPAC name of 4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine (CID 164709763) is 4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine is CCN1CC2(C1)CN(c1ccc(Nc3ncc(F)c(-c4cc5nccc(C6CCCC6)c5s4)n3)nc1)C2.
What is the InChIKey of 4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine?
The InChIKey is HMCYJQQOMHGLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN7S/c1-2-35-14-28(15-35)16-36(17-28)19-7-8-24(31-12-19)33-27-32-13-21(29)25(34-27)23-11-22-26(37-23)20(9-10-30-22)18-5-3-4-6-18/h7-13,18H,2-6,14-17H2,1H3,(H,31,32,33,34).
What are the key properties of 4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine?
4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine has a molecular weight of 515.66 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 164709763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).