2-[6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide

C21H19N5O — CID 44580657

IUPAC2-[6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide
SMILESC[C@H](Nc1cc2c(cn1)cnn2-c1ccccc1C(N)=O)c1ccccc1
InChIInChI=1S/C21H19N5O/c1-14(15-7-3-2-4-8-15)25-20-11-19-16(12-23-20)13-24-26(19)18-10-6-5-9-17(18)21(22)27/h2-14H,1H3,(H2,22,27)(H,23,25)/t14-/m0/s1
InChIKeyNOSBNKDMKOKZCH-AWEZNQCLSA-N
MW357.42 g/mol
LogP3.69
Rot. Bonds5

About 2-[6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide

2-[6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide (PubChem CID 44580657) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-[6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide.

Molecular Properties

Compound Name2-[6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide
PubChem CID44580657
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name2-[6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide
SMILESC[C@H](Nc1cc2c(cn1)cnn2-c1ccccc1C(N)=O)c1ccccc1
InChIInChI=1S/C21H19N5O/c1-14(15-7-3-2-4-8-15)25-20-11-19-16(12-23-20)13-24-26(19)18-10-6-5-9-17(18)21(22)27/h2-14H,1H3,(H2,22,27)(H,23,25)/t14-/m0/s1
InChIKeyNOSBNKDMKOKZCH-AWEZNQCLSA-N
XLogP3.69
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide?
The IUPAC name of 2-[6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide (CID 44580657) is 2-[6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide.
What is the SMILES notation for 2-[6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide?
The canonical SMILES for 2-[6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide is C[C@H](Nc1cc2c(cn1)cnn2-c1ccccc1C(N)=O)c1ccccc1.
What is the InChIKey of 2-[6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide?
The InChIKey is NOSBNKDMKOKZCH-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H19N5O/c1-14(15-7-3-2-4-8-15)25-20-11-19-16(12-23-20)13-24-26(19)18-10-6-5-9-17(18)21(22)27/h2-14H,1H3,(H2,22,27)(H,23,25)/t14-/m0/s1.
What are the key properties of 2-[6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide?
2-[6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide has a molecular weight of 357.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide is sourced from PubChem (CID 44580657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).