5-(7-piperidin-4-yloxyisoquinolin-6-yl)-N-pyridin-3-ylthiophene-2-carboxamide

C24H22N4O2S — CID 44526919

IUPAC5-(7-piperidin-4-yloxyisoquinolin-6-yl)-N-pyridin-3-ylthiophene-2-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc(-c2cc3ccncc3cc2OC2CCNCC2)s1
InChIInChI=1S/C24H22N4O2S/c29-24(28-18-2-1-8-26-15-18)23-4-3-22(31-23)20-12-16-5-9-27-14-17(16)13-21(20)30-19-6-10-25-11-7-19/h1-5,8-9,12-15,19,25H,6-7,10-11H2,(H,28,29)
InChIKeyHRMFJFCMTQRFOK-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.74
Rot. Bonds5

About 5-(7-piperidin-4-yloxyisoquinolin-6-yl)-N-pyridin-3-ylthiophene-2-carboxamide

5-(7-piperidin-4-yloxyisoquinolin-6-yl)-N-pyridin-3-ylthiophene-2-carboxamide (PubChem CID 44526919) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is 5-(7-piperidin-4-yloxyisoquinolin-6-yl)-N-pyridin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(7-piperidin-4-yloxyisoquinolin-6-yl)-N-pyridin-3-ylthiophene-2-carboxamide
PubChem CID44526919
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC Name5-(7-piperidin-4-yloxyisoquinolin-6-yl)-N-pyridin-3-ylthiophene-2-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc(-c2cc3ccncc3cc2OC2CCNCC2)s1
InChIInChI=1S/C24H22N4O2S/c29-24(28-18-2-1-8-26-15-18)23-4-3-22(31-23)20-12-16-5-9-27-14-17(16)13-21(20)30-19-6-10-25-11-7-19/h1-5,8-9,12-15,19,25H,6-7,10-11H2,(H,28,29)
InChIKeyHRMFJFCMTQRFOK-UHFFFAOYSA-N
XLogP4.74
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(7-piperidin-4-yloxyisoquinolin-6-yl)-N-pyridin-3-ylthiophene-2-carboxamide?
The IUPAC name of 5-(7-piperidin-4-yloxyisoquinolin-6-yl)-N-pyridin-3-ylthiophene-2-carboxamide (CID 44526919) is 5-(7-piperidin-4-yloxyisoquinolin-6-yl)-N-pyridin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-(7-piperidin-4-yloxyisoquinolin-6-yl)-N-pyridin-3-ylthiophene-2-carboxamide?
The canonical SMILES for 5-(7-piperidin-4-yloxyisoquinolin-6-yl)-N-pyridin-3-ylthiophene-2-carboxamide is O=C(Nc1cccnc1)c1ccc(-c2cc3ccncc3cc2OC2CCNCC2)s1.
What is the InChIKey of 5-(7-piperidin-4-yloxyisoquinolin-6-yl)-N-pyridin-3-ylthiophene-2-carboxamide?
The InChIKey is HRMFJFCMTQRFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c29-24(28-18-2-1-8-26-15-18)23-4-3-22(31-23)20-12-16-5-9-27-14-17(16)13-21(20)30-19-6-10-25-11-7-19/h1-5,8-9,12-15,19,25H,6-7,10-11H2,(H,28,29).
What are the key properties of 5-(7-piperidin-4-yloxyisoquinolin-6-yl)-N-pyridin-3-ylthiophene-2-carboxamide?
5-(7-piperidin-4-yloxyisoquinolin-6-yl)-N-pyridin-3-ylthiophene-2-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-piperidin-4-yloxyisoquinolin-6-yl)-N-pyridin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 44526919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).