1-tert-butyl-6-cyclopropyl-N-[2-(dimethylamino)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C19H29N5O — CID 166627651

IUPAC1-tert-butyl-6-cyclopropyl-N-[2-(dimethylamino)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCCN(C)C)c12
InChIInChI=1S/C19H29N5O/c1-12-16-14(18(25)20-9-10-23(5)6)11-15(13-7-8-13)21-17(16)24(22-12)19(2,3)4/h11,13H,7-10H2,1-6H3,(H,20,25)
InChIKeyPQAYYLPVBQGZIB-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.66
Rot. Bonds5

About 1-tert-butyl-6-cyclopropyl-N-[2-(dimethylamino)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

1-tert-butyl-6-cyclopropyl-N-[2-(dimethylamino)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 166627651) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-tert-butyl-6-cyclopropyl-N-[2-(dimethylamino)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-6-cyclopropyl-N-[2-(dimethylamino)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID166627651
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name1-tert-butyl-6-cyclopropyl-N-[2-(dimethylamino)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCCN(C)C)c12
InChIInChI=1S/C19H29N5O/c1-12-16-14(18(25)20-9-10-23(5)6)11-15(13-7-8-13)21-17(16)24(22-12)19(2,3)4/h11,13H,7-10H2,1-6H3,(H,20,25)
InChIKeyPQAYYLPVBQGZIB-UHFFFAOYSA-N
XLogP2.66
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-cyclopropyl-N-[2-(dimethylamino)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-tert-butyl-6-cyclopropyl-N-[2-(dimethylamino)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 166627651) is 1-tert-butyl-6-cyclopropyl-N-[2-(dimethylamino)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-6-cyclopropyl-N-[2-(dimethylamino)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-tert-butyl-6-cyclopropyl-N-[2-(dimethylamino)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCCN(C)C)c12.
What is the InChIKey of 1-tert-butyl-6-cyclopropyl-N-[2-(dimethylamino)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is PQAYYLPVBQGZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-12-16-14(18(25)20-9-10-23(5)6)11-15(13-7-8-13)21-17(16)24(22-12)19(2,3)4/h11,13H,7-10H2,1-6H3,(H,20,25).
What are the key properties of 1-tert-butyl-6-cyclopropyl-N-[2-(dimethylamino)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-tert-butyl-6-cyclopropyl-N-[2-(dimethylamino)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 343.48 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-cyclopropyl-N-[2-(dimethylamino)ethyl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166627651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).