1-(2-fluorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine

C21H19FN4 — CID 25093250

IUPAC1-(2-fluorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCc1nn(-c2ccccc2F)c2cc(N[C@@H](C)c3ccccc3)ncc12
InChIInChI=1S/C21H19FN4/c1-14(16-8-4-3-5-9-16)24-21-12-20-17(13-23-21)15(2)25-26(20)19-11-7-6-10-18(19)22/h3-14H,1-2H3,(H,23,24)/t14-/m0/s1
InChIKeyDQZJBCXRJVKIME-AWEZNQCLSA-N
MW346.41 g/mol
LogP5.04
Rot. Bonds4

About 1-(2-fluorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine

1-(2-fluorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 25093250) has the molecular formula C21H19FN4 and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
PubChem CID25093250
Molecular FormulaC21H19FN4
Molecular Weight346.41 g/mol
Exact Mass346.16
IUPAC Name1-(2-fluorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCc1nn(-c2ccccc2F)c2cc(N[C@@H](C)c3ccccc3)ncc12
InChIInChI=1S/C21H19FN4/c1-14(16-8-4-3-5-9-16)24-21-12-20-17(13-23-21)15(2)25-26(20)19-11-7-6-10-18(19)22/h3-14H,1-2H3,(H,23,24)/t14-/m0/s1
InChIKeyDQZJBCXRJVKIME-AWEZNQCLSA-N
XLogP5.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.41
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of 1-(2-fluorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine (CID 25093250) is 1-(2-fluorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for 1-(2-fluorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine is Cc1nn(-c2ccccc2F)c2cc(N[C@@H](C)c3ccccc3)ncc12.
What is the InChIKey of 1-(2-fluorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is DQZJBCXRJVKIME-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H19FN4/c1-14(16-8-4-3-5-9-16)24-21-12-20-17(13-23-21)15(2)25-26(20)19-11-7-6-10-18(19)22/h3-14H,1-2H3,(H,23,24)/t14-/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
1-(2-fluorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 346.41 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 25093250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).