(2S)-1-[[5-[3-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine

C24H21N5O2 — CID 23647441

IUPAC(2S)-1-[[5-[3-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine
SMILESN[C@H](COc1cncc(-c2cc3c(-c4ccco4)n[nH]c3cn2)c1)Cc1ccccc1
InChIInChI=1S/C24H21N5O2/c25-18(9-16-5-2-1-3-6-16)15-31-19-10-17(12-26-13-19)21-11-20-22(14-27-21)28-29-24(20)23-7-4-8-30-23/h1-8,10-14,18H,9,15,25H2,(H,28,29)/t18-/m0/s1
InChIKeySUTSEXNYUMIAMX-SFHVURJKSA-N
MW411.47 g/mol
LogP4.23
Rot. Bonds7

About (2S)-1-[[5-[3-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine

(2S)-1-[[5-[3-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine (PubChem CID 23647441) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is (2S)-1-[[5-[3-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[5-[3-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine
PubChem CID23647441
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name(2S)-1-[[5-[3-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine
SMILESN[C@H](COc1cncc(-c2cc3c(-c4ccco4)n[nH]c3cn2)c1)Cc1ccccc1
InChIInChI=1S/C24H21N5O2/c25-18(9-16-5-2-1-3-6-16)15-31-19-10-17(12-26-13-19)21-11-20-22(14-27-21)28-29-24(20)23-7-4-8-30-23/h1-8,10-14,18H,9,15,25H2,(H,28,29)/t18-/m0/s1
InChIKeySUTSEXNYUMIAMX-SFHVURJKSA-N
XLogP4.23
TPSA102.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[5-[3-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
The IUPAC name of (2S)-1-[[5-[3-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine (CID 23647441) is (2S)-1-[[5-[3-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine.
What is the SMILES notation for (2S)-1-[[5-[3-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
The canonical SMILES for (2S)-1-[[5-[3-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine is N[C@H](COc1cncc(-c2cc3c(-c4ccco4)n[nH]c3cn2)c1)Cc1ccccc1.
What is the InChIKey of (2S)-1-[[5-[3-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
The InChIKey is SUTSEXNYUMIAMX-SFHVURJKSA-N. The full InChI is InChI=1S/C24H21N5O2/c25-18(9-16-5-2-1-3-6-16)15-31-19-10-17(12-26-13-19)21-11-20-22(14-27-21)28-29-24(20)23-7-4-8-30-23/h1-8,10-14,18H,9,15,25H2,(H,28,29)/t18-/m0/s1.
What are the key properties of (2S)-1-[[5-[3-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine?
(2S)-1-[[5-[3-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine has a molecular weight of 411.47 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[5-[3-(furan-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-3-phenylpropan-2-amine is sourced from PubChem (CID 23647441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).