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

C25H25FN6OS — CID 164709740

IUPAC4-(4-cyclopentylthieno[2,3-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine
SMILESFc1cnc(Nc2ccc(N3CCOCC3)cn2)nc1-c1cc2c(C3CCCC3)ccnc2s1
InChIInChI=1S/C25H25FN6OS/c26-20-15-29-25(30-22-6-5-17(14-28-22)32-9-11-33-12-10-32)31-23(20)21-13-19-18(16-3-1-2-4-16)7-8-27-24(19)34-21/h5-8,13-16H,1-4,9-12H2,(H,28,29,30,31)
InChIKeyBYGYLCJZAQQJTN-UHFFFAOYSA-N
MW476.58 g/mol
LogP5.53
Rot. Bonds5

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

4-(4-cyclopentylthieno[2,3-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine (PubChem CID 164709740) has the molecular formula C25H25FN6OS and a molecular weight of 476.58 g/mol. Its IUPAC name is 4-(4-cyclopentylthieno[2,3-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-cyclopentylthieno[2,3-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine
PubChem CID164709740
Molecular FormulaC25H25FN6OS
Molecular Weight476.58 g/mol
Exact Mass476.18
IUPAC Name4-(4-cyclopentylthieno[2,3-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine
SMILESFc1cnc(Nc2ccc(N3CCOCC3)cn2)nc1-c1cc2c(C3CCCC3)ccnc2s1
InChIInChI=1S/C25H25FN6OS/c26-20-15-29-25(30-22-6-5-17(14-28-22)32-9-11-33-12-10-32)31-23(20)21-13-19-18(16-3-1-2-4-16)7-8-27-24(19)34-21/h5-8,13-16H,1-4,9-12H2,(H,28,29,30,31)
InChIKeyBYGYLCJZAQQJTN-UHFFFAOYSA-N
XLogP5.53
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentylthieno[2,3-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-cyclopentylthieno[2,3-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine (CID 164709740) is 4-(4-cyclopentylthieno[2,3-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-cyclopentylthieno[2,3-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-cyclopentylthieno[2,3-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine is Fc1cnc(Nc2ccc(N3CCOCC3)cn2)nc1-c1cc2c(C3CCCC3)ccnc2s1.
What is the InChIKey of 4-(4-cyclopentylthieno[2,3-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine?
The InChIKey is BYGYLCJZAQQJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6OS/c26-20-15-29-25(30-22-6-5-17(14-28-22)32-9-11-33-12-10-32)31-23(20)21-13-19-18(16-3-1-2-4-16)7-8-27-24(19)34-21/h5-8,13-16H,1-4,9-12H2,(H,28,29,30,31).
What are the key properties of 4-(4-cyclopentylthieno[2,3-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine?
4-(4-cyclopentylthieno[2,3-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine has a molecular weight of 476.58 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentylthieno[2,3-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 164709740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).