4-methoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride

C14H20ClN5O2 — CID 154919007

IUPAC4-methoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCc2[nH]nc3ncccc23)CCNCC1.Cl
InChIInChI=1S/C14H19N5O2.ClH/c1-21-14(4-7-15-8-5-14)13(20)17-9-11-10-3-2-6-16-12(10)19-18-11;/h2-3,6,15H,4-5,7-9H2,1H3,(H,17,20)(H,16,18,19);1H
InChIKeyKDWANOULJYPGAI-UHFFFAOYSA-N
MW325.80 g/mol
LogP0.76
Rot. Bonds4

About 4-methoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride

4-methoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 154919007) has the molecular formula C14H20ClN5O2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 4-methoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID154919007
Molecular FormulaC14H20ClN5O2
Molecular Weight325.80 g/mol
Exact Mass325.13
IUPAC Name4-methoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCc2[nH]nc3ncccc23)CCNCC1.Cl
InChIInChI=1S/C14H19N5O2.ClH/c1-21-14(4-7-15-8-5-14)13(20)17-9-11-10-3-2-6-16-12(10)19-18-11;/h2-3,6,15H,4-5,7-9H2,1H3,(H,17,20)(H,16,18,19);1H
InChIKeyKDWANOULJYPGAI-UHFFFAOYSA-N
XLogP0.76
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-methoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride (CID 154919007) is 4-methoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride is COC1(C(=O)NCc2[nH]nc3ncccc23)CCNCC1.Cl.
What is the InChIKey of 4-methoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is KDWANOULJYPGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2.ClH/c1-21-14(4-7-15-8-5-14)13(20)17-9-11-10-3-2-6-16-12(10)19-18-11;/h2-3,6,15H,4-5,7-9H2,1H3,(H,17,20)(H,16,18,19);1H.
What are the key properties of 4-methoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride?
4-methoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 325.80 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 154919007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).