[6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]pyrazin-2-yl]methanol

C22H24N6O2 — CID 118663987

IUPAC[6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]pyrazin-2-yl]methanol
SMILESCCOc1cc(-c2cccc([C@@H](N)CC)n2)cc2c1cnn2-c1cncc(CO)n1
InChIInChI=1S/C22H24N6O2/c1-3-17(23)19-7-5-6-18(27-19)14-8-20-16(21(9-14)30-4-2)11-25-28(20)22-12-24-10-15(13-29)26-22/h5-12,17,29H,3-4,13,23H2,1-2H3/t17-/m0/s1
InChIKeyCGSUYUAVFCLGOP-KRWDZBQOSA-N
MW404.47 g/mol
LogP3.18
Rot. Bonds7

About [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]pyrazin-2-yl]methanol

[6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]pyrazin-2-yl]methanol (PubChem CID 118663987) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]pyrazin-2-yl]methanol
PubChem CID118663987
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name[6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]pyrazin-2-yl]methanol
SMILESCCOc1cc(-c2cccc([C@@H](N)CC)n2)cc2c1cnn2-c1cncc(CO)n1
InChIInChI=1S/C22H24N6O2/c1-3-17(23)19-7-5-6-18(27-19)14-8-20-16(21(9-14)30-4-2)11-25-28(20)22-12-24-10-15(13-29)26-22/h5-12,17,29H,3-4,13,23H2,1-2H3/t17-/m0/s1
InChIKeyCGSUYUAVFCLGOP-KRWDZBQOSA-N
XLogP3.18
TPSA111.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]pyrazin-2-yl]methanol?
The IUPAC name of [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]pyrazin-2-yl]methanol (CID 118663987) is [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]pyrazin-2-yl]methanol.
What is the SMILES notation for [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]pyrazin-2-yl]methanol?
The canonical SMILES for [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]pyrazin-2-yl]methanol is CCOc1cc(-c2cccc([C@@H](N)CC)n2)cc2c1cnn2-c1cncc(CO)n1.
What is the InChIKey of [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]pyrazin-2-yl]methanol?
The InChIKey is CGSUYUAVFCLGOP-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-3-17(23)19-7-5-6-18(27-19)14-8-20-16(21(9-14)30-4-2)11-25-28(20)22-12-24-10-15(13-29)26-22/h5-12,17,29H,3-4,13,23H2,1-2H3/t17-/m0/s1.
What are the key properties of [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]pyrazin-2-yl]methanol?
[6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]pyrazin-2-yl]methanol has a molecular weight of 404.47 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]pyrazin-2-yl]methanol is sourced from PubChem (CID 118663987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).