N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiophene-3-carboxamide

C18H20N4OS — CID 11046087

IUPACN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiophene-3-carboxamide
SMILESCN1CCC(c2c[nH]c3ccc(NC(=O)c4ccsc4)nc23)CC1
InChIInChI=1S/C18H20N4OS/c1-22-7-4-12(5-8-22)14-10-19-15-2-3-16(20-17(14)15)21-18(23)13-6-9-24-11-13/h2-3,6,9-12,19H,4-5,7-8H2,1H3,(H,20,21,23)
InChIKeyMFHQYQOIPCWNJA-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.69
Rot. Bonds3

About N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiophene-3-carboxamide

N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiophene-3-carboxamide (PubChem CID 11046087) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiophene-3-carboxamide
PubChem CID11046087
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiophene-3-carboxamide
SMILESCN1CCC(c2c[nH]c3ccc(NC(=O)c4ccsc4)nc23)CC1
InChIInChI=1S/C18H20N4OS/c1-22-7-4-12(5-8-22)14-10-19-15-2-3-16(20-17(14)15)21-18(23)13-6-9-24-11-13/h2-3,6,9-12,19H,4-5,7-8H2,1H3,(H,20,21,23)
InChIKeyMFHQYQOIPCWNJA-UHFFFAOYSA-N
XLogP3.69
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiophene-3-carboxamide (CID 11046087) is N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiophene-3-carboxamide is CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccsc4)nc23)CC1.
What is the InChIKey of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiophene-3-carboxamide?
The InChIKey is MFHQYQOIPCWNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-22-7-4-12(5-8-22)14-10-19-15-2-3-16(20-17(14)15)21-18(23)13-6-9-24-11-13/h2-3,6,9-12,19H,4-5,7-8H2,1H3,(H,20,21,23).
What are the key properties of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiophene-3-carboxamide?
N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiophene-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiophene-3-carboxamide is sourced from PubChem (CID 11046087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).