1,3-dimethyl-N-[3-(N-methylanilino)propyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H29N5O — CID 32613749

IUPAC1,3-dimethyl-N-[3-(N-methylanilino)propyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)NCCCN(C)c3ccccc3)c12
InChIInChI=1S/C22H29N5O/c1-15(2)19-14-18(20-16(3)25-27(5)21(20)24-19)22(28)23-12-9-13-26(4)17-10-7-6-8-11-17/h6-8,10-11,14-15H,9,12-13H2,1-5H3,(H,23,28)
InChIKeyXESPQGAMDPOPSW-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.66
Rot. Bonds7

About 1,3-dimethyl-N-[3-(N-methylanilino)propyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

1,3-dimethyl-N-[3-(N-methylanilino)propyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 32613749) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 1,3-dimethyl-N-[3-(N-methylanilino)propyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[3-(N-methylanilino)propyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID32613749
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name1,3-dimethyl-N-[3-(N-methylanilino)propyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)NCCCN(C)c3ccccc3)c12
InChIInChI=1S/C22H29N5O/c1-15(2)19-14-18(20-16(3)25-27(5)21(20)24-19)22(28)23-12-9-13-26(4)17-10-7-6-8-11-17/h6-8,10-11,14-15H,9,12-13H2,1-5H3,(H,23,28)
InChIKeyXESPQGAMDPOPSW-UHFFFAOYSA-N
XLogP3.66
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[3-(N-methylanilino)propyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[3-(N-methylanilino)propyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 32613749) is 1,3-dimethyl-N-[3-(N-methylanilino)propyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[3-(N-methylanilino)propyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[3-(N-methylanilino)propyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C(C)C)cc(C(=O)NCCCN(C)c3ccccc3)c12.
What is the InChIKey of 1,3-dimethyl-N-[3-(N-methylanilino)propyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XESPQGAMDPOPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-15(2)19-14-18(20-16(3)25-27(5)21(20)24-19)22(28)23-12-9-13-26(4)17-10-7-6-8-11-17/h6-8,10-11,14-15H,9,12-13H2,1-5H3,(H,23,28).
What are the key properties of 1,3-dimethyl-N-[3-(N-methylanilino)propyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
1,3-dimethyl-N-[3-(N-methylanilino)propyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[3-(N-methylanilino)propyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 32613749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).