(1S)-1-[4-[3-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-fluoro-5-methylphenyl]-N-methylethanamine

C22H23FN6 — CID 154584148

IUPAC(1S)-1-[4-[3-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-fluoro-5-methylphenyl]-N-methylethanamine
SMILESCN[C@@H](C)c1cc(C)c(-c2cc3c(-c4cnn(C5CC5)c4)n[nH]c3cn2)c(F)c1
InChIInChI=1S/C22H23FN6/c1-12-6-14(13(2)24-3)7-18(23)21(12)19-8-17-20(10-25-19)27-28-22(17)15-9-26-29(11-15)16-4-5-16/h6-11,13,16,24H,4-5H2,1-3H3,(H,27,28)/t13-/m0/s1
InChIKeyFCHFUCIZCHOPGA-ZDUSSCGKSA-N
MW390.47 g/mol
LogP4.55
Rot. Bonds5

About (1S)-1-[4-[3-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-fluoro-5-methylphenyl]-N-methylethanamine

(1S)-1-[4-[3-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-fluoro-5-methylphenyl]-N-methylethanamine (PubChem CID 154584148) has the molecular formula C22H23FN6 and a molecular weight of 390.47 g/mol. Its IUPAC name is (1S)-1-[4-[3-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-fluoro-5-methylphenyl]-N-methylethanamine.

Molecular Properties

Compound Name(1S)-1-[4-[3-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-fluoro-5-methylphenyl]-N-methylethanamine
PubChem CID154584148
Molecular FormulaC22H23FN6
Molecular Weight390.47 g/mol
Exact Mass390.20
IUPAC Name(1S)-1-[4-[3-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-fluoro-5-methylphenyl]-N-methylethanamine
SMILESCN[C@@H](C)c1cc(C)c(-c2cc3c(-c4cnn(C5CC5)c4)n[nH]c3cn2)c(F)c1
InChIInChI=1S/C22H23FN6/c1-12-6-14(13(2)24-3)7-18(23)21(12)19-8-17-20(10-25-19)27-28-22(17)15-9-26-29(11-15)16-4-5-16/h6-11,13,16,24H,4-5H2,1-3H3,(H,27,28)/t13-/m0/s1
InChIKeyFCHFUCIZCHOPGA-ZDUSSCGKSA-N
XLogP4.55
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[3-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-fluoro-5-methylphenyl]-N-methylethanamine?
The IUPAC name of (1S)-1-[4-[3-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-fluoro-5-methylphenyl]-N-methylethanamine (CID 154584148) is (1S)-1-[4-[3-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-fluoro-5-methylphenyl]-N-methylethanamine.
What is the SMILES notation for (1S)-1-[4-[3-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-fluoro-5-methylphenyl]-N-methylethanamine?
The canonical SMILES for (1S)-1-[4-[3-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-fluoro-5-methylphenyl]-N-methylethanamine is CN[C@@H](C)c1cc(C)c(-c2cc3c(-c4cnn(C5CC5)c4)n[nH]c3cn2)c(F)c1.
What is the InChIKey of (1S)-1-[4-[3-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-fluoro-5-methylphenyl]-N-methylethanamine?
The InChIKey is FCHFUCIZCHOPGA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H23FN6/c1-12-6-14(13(2)24-3)7-18(23)21(12)19-8-17-20(10-25-19)27-28-22(17)15-9-26-29(11-15)16-4-5-16/h6-11,13,16,24H,4-5H2,1-3H3,(H,27,28)/t13-/m0/s1.
What are the key properties of (1S)-1-[4-[3-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-fluoro-5-methylphenyl]-N-methylethanamine?
(1S)-1-[4-[3-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-fluoro-5-methylphenyl]-N-methylethanamine has a molecular weight of 390.47 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[3-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-fluoro-5-methylphenyl]-N-methylethanamine is sourced from PubChem (CID 154584148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).