N-cyclopropyl-1-ethyl-N-(1-ethylpiperidin-4-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide

C20H29N5O — CID 167785499

IUPACN-cyclopropyl-1-ethyl-N-(1-ethylpiperidin-4-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCN1CCC(N(C(=O)c2cc(C)nc3c2cnn3CC)C2CC2)CC1
InChIInChI=1S/C20H29N5O/c1-4-23-10-8-16(9-11-23)25(15-6-7-15)20(26)17-12-14(3)22-19-18(17)13-21-24(19)5-2/h12-13,15-16H,4-11H2,1-3H3
InChIKeyYGEDHBFCXZXIEA-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.85
Rot. Bonds5

About N-cyclopropyl-1-ethyl-N-(1-ethylpiperidin-4-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide

N-cyclopropyl-1-ethyl-N-(1-ethylpiperidin-4-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 167785499) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-cyclopropyl-1-ethyl-N-(1-ethylpiperidin-4-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-ethyl-N-(1-ethylpiperidin-4-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID167785499
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-cyclopropyl-1-ethyl-N-(1-ethylpiperidin-4-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCN1CCC(N(C(=O)c2cc(C)nc3c2cnn3CC)C2CC2)CC1
InChIInChI=1S/C20H29N5O/c1-4-23-10-8-16(9-11-23)25(15-6-7-15)20(26)17-12-14(3)22-19-18(17)13-21-24(19)5-2/h12-13,15-16H,4-11H2,1-3H3
InChIKeyYGEDHBFCXZXIEA-UHFFFAOYSA-N
XLogP2.85
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-ethyl-N-(1-ethylpiperidin-4-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-ethyl-N-(1-ethylpiperidin-4-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 167785499) is N-cyclopropyl-1-ethyl-N-(1-ethylpiperidin-4-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-ethyl-N-(1-ethylpiperidin-4-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-ethyl-N-(1-ethylpiperidin-4-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide is CCN1CCC(N(C(=O)c2cc(C)nc3c2cnn3CC)C2CC2)CC1.
What is the InChIKey of N-cyclopropyl-1-ethyl-N-(1-ethylpiperidin-4-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is YGEDHBFCXZXIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-4-23-10-8-16(9-11-23)25(15-6-7-15)20(26)17-12-14(3)22-19-18(17)13-21-24(19)5-2/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of N-cyclopropyl-1-ethyl-N-(1-ethylpiperidin-4-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-cyclopropyl-1-ethyl-N-(1-ethylpiperidin-4-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-ethyl-N-(1-ethylpiperidin-4-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 167785499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).