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

C17H25N5O — CID 166633594

IUPAC6-cyclopropyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCNCCCNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C
InChIInChI=1S/C17H25N5O/c1-11(2)22-16-14(10-20-22)13(9-15(21-16)12-5-6-12)17(23)19-8-4-7-18-3/h9-12,18H,4-8H2,1-3H3,(H,19,23)
InChIKeyPQAPWDPZLVQEKF-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.23
Rot. Bonds7

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

6-cyclopropyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 166633594) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID166633594
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name6-cyclopropyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCNCCCNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C
InChIInChI=1S/C17H25N5O/c1-11(2)22-16-14(10-20-22)13(9-15(21-16)12-5-6-12)17(23)19-8-4-7-18-3/h9-12,18H,4-8H2,1-3H3,(H,19,23)
InChIKeyPQAPWDPZLVQEKF-UHFFFAOYSA-N
XLogP2.23
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
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 6-cyclopropyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 166633594) is 6-cyclopropyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CNCCCNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C.
What is the InChIKey of 6-cyclopropyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is PQAPWDPZLVQEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-11(2)22-16-14(10-20-22)13(9-15(21-16)12-5-6-12)17(23)19-8-4-7-18-3/h9-12,18H,4-8H2,1-3H3,(H,19,23).
What are the key properties of 6-cyclopropyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166633594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).