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

C22H21N5O — CID 44580656

IUPAC2-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide
SMILESCc1nn(-c2ccccc2C(N)=O)c2cc(N[C@@H](C)c3ccccc3)ncc12
InChIInChI=1S/C22H21N5O/c1-14(16-8-4-3-5-9-16)25-21-12-20-18(13-24-21)15(2)26-27(20)19-11-7-6-10-17(19)22(23)28/h3-14H,1-2H3,(H2,23,28)(H,24,25)/t14-/m0/s1
InChIKeySCUZVWQBCHURMN-AWEZNQCLSA-N
MW371.44 g/mol
LogP4.00
Rot. Bonds5

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

2-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide (PubChem CID 44580656) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide.

Molecular Properties

Compound Name2-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide
PubChem CID44580656
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name2-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide
SMILESCc1nn(-c2ccccc2C(N)=O)c2cc(N[C@@H](C)c3ccccc3)ncc12
InChIInChI=1S/C22H21N5O/c1-14(16-8-4-3-5-9-16)25-21-12-20-18(13-24-21)15(2)26-27(20)19-11-7-6-10-17(19)22(23)28/h3-14H,1-2H3,(H2,23,28)(H,24,25)/t14-/m0/s1
InChIKeySCUZVWQBCHURMN-AWEZNQCLSA-N
XLogP4.00
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide?
The IUPAC name of 2-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide (CID 44580656) is 2-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide.
What is the SMILES notation for 2-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide?
The canonical SMILES for 2-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide is Cc1nn(-c2ccccc2C(N)=O)c2cc(N[C@@H](C)c3ccccc3)ncc12.
What is the InChIKey of 2-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide?
The InChIKey is SCUZVWQBCHURMN-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H21N5O/c1-14(16-8-4-3-5-9-16)25-21-12-20-18(13-24-21)15(2)26-27(20)19-11-7-6-10-17(19)22(23)28/h3-14H,1-2H3,(H2,23,28)(H,24,25)/t14-/m0/s1.
What are the key properties of 2-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide?
2-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide has a molecular weight of 371.44 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-6-[[(1S)-1-phenylethyl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzamide is sourced from PubChem (CID 44580656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).