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

C23H26N6O3 — CID 118664211

IUPAC[6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol
SMILESCC[C@H](N)c1cccc(-c2cc(OCCOC)c3cnn(-c4cncc(CO)n4)c3c2)n1
InChIInChI=1S/C23H26N6O3/c1-3-18(24)20-6-4-5-19(28-20)15-9-21-17(22(10-15)32-8-7-31-2)12-26-29(21)23-13-25-11-16(14-30)27-23/h4-6,9-13,18,30H,3,7-8,14,24H2,1-2H3/t18-/m0/s1
InChIKeyHFHOIHABNJPOMK-SFHVURJKSA-N
MW434.50 g/mol
LogP2.80
Rot. Bonds9

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

[6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol (PubChem CID 118664211) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol
PubChem CID118664211
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name[6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol
SMILESCC[C@H](N)c1cccc(-c2cc(OCCOC)c3cnn(-c4cncc(CO)n4)c3c2)n1
InChIInChI=1S/C23H26N6O3/c1-3-18(24)20-6-4-5-19(28-20)15-9-21-17(22(10-15)32-8-7-31-2)12-26-29(21)23-13-25-11-16(14-30)27-23/h4-6,9-13,18,30H,3,7-8,14,24H2,1-2H3/t18-/m0/s1
InChIKeyHFHOIHABNJPOMK-SFHVURJKSA-N
XLogP2.80
TPSA121.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol?
The IUPAC name of [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol (CID 118664211) is [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol.
What is the SMILES notation for [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol?
The canonical SMILES for [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol is CC[C@H](N)c1cccc(-c2cc(OCCOC)c3cnn(-c4cncc(CO)n4)c3c2)n1.
What is the InChIKey of [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol?
The InChIKey is HFHOIHABNJPOMK-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-3-18(24)20-6-4-5-19(28-20)15-9-21-17(22(10-15)32-8-7-31-2)12-26-29(21)23-13-25-11-16(14-30)27-23/h4-6,9-13,18,30H,3,7-8,14,24H2,1-2H3/t18-/m0/s1.
What are the key properties of [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol?
[6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol has a molecular weight of 434.50 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol is sourced from PubChem (CID 118664211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).