N,N-dimethyl-3-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

C18H21N5OS — CID 110091015

IUPACN,N-dimethyl-3-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2ncccc2c1C1CCN(Cc2ccn[nH]2)C1
InChIInChI=1S/C18H21N5OS/c1-22(2)18(24)16-15(14-4-3-7-19-17(14)25-16)12-6-9-23(10-12)11-13-5-8-20-21-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,20,21)
InChIKeyDMTCOINQNMSUBD-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.71
Rot. Bonds4

About N,N-dimethyl-3-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

N,N-dimethyl-3-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 110091015) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is N,N-dimethyl-3-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID110091015
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC NameN,N-dimethyl-3-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2ncccc2c1C1CCN(Cc2ccn[nH]2)C1
InChIInChI=1S/C18H21N5OS/c1-22(2)18(24)16-15(14-4-3-7-19-17(14)25-16)12-6-9-23(10-12)11-13-5-8-20-21-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,20,21)
InChIKeyDMTCOINQNMSUBD-UHFFFAOYSA-N
XLogP2.71
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-3-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 110091015) is N,N-dimethyl-3-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is CN(C)C(=O)c1sc2ncccc2c1C1CCN(Cc2ccn[nH]2)C1.
What is the InChIKey of N,N-dimethyl-3-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is DMTCOINQNMSUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-22(2)18(24)16-15(14-4-3-7-19-17(14)25-16)12-6-9-23(10-12)11-13-5-8-20-21-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,20,21).
What are the key properties of N,N-dimethyl-3-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
N,N-dimethyl-3-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 355.47 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 110091015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).