4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine

C25H26FN7S — CID 164709739

IUPAC4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine
SMILESFc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1-c1cc2nccc(C3CCCC3)c2s1
InChIInChI=1S/C25H26FN7S/c26-19-15-30-25(31-22-6-5-17(14-29-22)33-11-9-27-10-12-33)32-23(19)21-13-20-24(34-21)18(7-8-28-20)16-3-1-2-4-16/h5-8,13-16,27H,1-4,9-12H2,(H,29,30,31,32)
InChIKeyPODMBTFYINWHTI-UHFFFAOYSA-N
MW475.60 g/mol
LogP5.10
Rot. Bonds5

About 4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine

4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine (PubChem CID 164709739) has the molecular formula C25H26FN7S and a molecular weight of 475.60 g/mol. Its IUPAC name is 4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine
PubChem CID164709739
Molecular FormulaC25H26FN7S
Molecular Weight475.60 g/mol
Exact Mass475.20
IUPAC Name4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine
SMILESFc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1-c1cc2nccc(C3CCCC3)c2s1
InChIInChI=1S/C25H26FN7S/c26-19-15-30-25(31-22-6-5-17(14-29-22)33-11-9-27-10-12-33)32-23(19)21-13-20-24(34-21)18(7-8-28-20)16-3-1-2-4-16/h5-8,13-16,27H,1-4,9-12H2,(H,29,30,31,32)
InChIKeyPODMBTFYINWHTI-UHFFFAOYSA-N
XLogP5.10
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.60
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

PI-3065
CID 24937012
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
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
N2-[(1s)-1-(5-Fluoropyrimidin-2-Yl)ethyl]-7-Methyl-N4-(1-Methylimidazol-4-Yl)thieno[3,2-D]pyrimidine-2,4-Diamine
CID 45275254
2-(1,4''-Bipiperidin-1''-yl)-6-(6-fluoropyridin-3-yl)thiazolo[4,5-c]pyridine
CID 45482756
Fovinaciclib
CID 132136461
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
N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]-6-(Thiophen-3-Yl)pyrimidine-2,4-Diamine
CID 124220259
N-(4-(6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-ylamino)phenethyl)thieno[3,2-d]pyrimidin-4-amine
CID 46883180
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 145991893
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-phenylthieno[3,2-d]pyrimidin-2-amine
CID 164609501

Frequently Asked Questions

What is the IUPAC name of 4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine (CID 164709739) is 4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine is Fc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1-c1cc2nccc(C3CCCC3)c2s1.
What is the InChIKey of 4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine?
The InChIKey is PODMBTFYINWHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7S/c26-19-15-30-25(31-22-6-5-17(14-29-22)33-11-9-27-10-12-33)32-23(19)21-13-20-24(34-21)18(7-8-28-20)16-3-1-2-4-16/h5-8,13-16,27H,1-4,9-12H2,(H,29,30,31,32).
What are the key properties of 4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine?
4-(7-cyclopentylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine has a molecular weight of 475.60 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 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)-5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 164709739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).