N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide

C18H23N5O2 — CID 94184797

IUPACN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cc1C(=O)NC[C@@H](c1ccco1)N(C)C)c(C)nn2C
InChIInChI=1S/C18H23N5O2/c1-11-14(9-13-12(2)21-23(5)17(13)20-11)18(24)19-10-15(22(3)4)16-7-6-8-25-16/h6-9,15H,10H2,1-5H3,(H,19,24)/t15-/m0/s1
InChIKeyHBURIYCPBXKSQS-HNNXBMFYSA-N
MW341.42 g/mol
LogP2.21
Rot. Bonds5

About N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 94184797) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID94184797
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cc1C(=O)NC[C@@H](c1ccco1)N(C)C)c(C)nn2C
InChIInChI=1S/C18H23N5O2/c1-11-14(9-13-12(2)21-23(5)17(13)20-11)18(24)19-10-15(22(3)4)16-7-6-8-25-16/h6-9,15H,10H2,1-5H3,(H,19,24)/t15-/m0/s1
InChIKeyHBURIYCPBXKSQS-HNNXBMFYSA-N
XLogP2.21
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 51162734
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 26818992
N-[2-(3-chlorophenyl)-2-hydroxyethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 42959831
6-(3-bromophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylpyridine-3-carboxamide
CID 43042066
2-N,6-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-2,6-dicarboxamide
CID 46604974
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethylbenzamide
CID 51162753
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 95977473
N-[2-(benzylamino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46446216
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 80710543
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 166208789
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 37028631
N-hexyl-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 37031751

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 94184797) is N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nc2c(cc1C(=O)NC[C@@H](c1ccco1)N(C)C)c(C)nn2C.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is HBURIYCPBXKSQS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-11-14(9-13-12(2)21-23(5)17(13)20-11)18(24)19-10-15(22(3)4)16-7-6-8-25-16/h6-9,15H,10H2,1-5H3,(H,19,24)/t15-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 94184797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).