N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide

C25H22N6O2S — CID 137429679

IUPACN-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESN#Cc1cccc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)c1
InChIInChI=1S/C25H22N6O2S/c26-15-18-5-3-4-17(14-18)7-9-28-24(32)19-16-34-25-21(19)23(31-10-12-33-13-11-31)29-22(30-25)20-6-1-2-8-27-20/h1-6,8,14,16H,7,9-13H2,(H,28,32)
InChIKeyNIUKKSKCICBYAT-UHFFFAOYSA-N
MW470.56 g/mol
LogP3.43
Rot. Bonds6

About N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide

N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 137429679) has the molecular formula C25H22N6O2S and a molecular weight of 470.56 g/mol. Its IUPAC name is N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID137429679
Molecular FormulaC25H22N6O2S
Molecular Weight470.56 g/mol
Exact Mass470.15
IUPAC NameN-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESN#Cc1cccc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)c1
InChIInChI=1S/C25H22N6O2S/c26-15-18-5-3-4-17(14-18)7-9-28-24(32)19-16-34-25-21(19)23(31-10-12-33-13-11-31)29-22(30-25)20-6-1-2-8-27-20/h1-6,8,14,16H,7,9-13H2,(H,28,32)
InChIKeyNIUKKSKCICBYAT-UHFFFAOYSA-N
XLogP3.43
TPSA104.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (CID 137429679) is N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is N#Cc1cccc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)c1.
What is the InChIKey of N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is NIUKKSKCICBYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2S/c26-15-18-5-3-4-17(14-18)7-9-28-24(32)19-16-34-25-21(19)23(31-10-12-33-13-11-31)29-22(30-25)20-6-1-2-8-27-20/h1-6,8,14,16H,7,9-13H2,(H,28,32).
What are the key properties of N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 470.56 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyanophenyl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 137429679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).