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

C20H20N6O — CID 118664374

IUPAC[6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol
SMILESCC[C@H](N)c1cccc(-c2ccc3cnn(-c4cncc(CO)n4)c3c2)n1
InChIInChI=1S/C20H20N6O/c1-2-16(21)18-5-3-4-17(25-18)13-6-7-14-9-23-26(19(14)8-13)20-11-22-10-15(12-27)24-20/h3-11,16,27H,2,12,21H2,1H3/t16-/m0/s1
InChIKeySKIAPZQTHWZYDB-INIZCTEOSA-N
MW360.42 g/mol
LogP2.78
Rot. Bonds5

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

[6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol (PubChem CID 118664374) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol
PubChem CID118664374
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name[6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol
SMILESCC[C@H](N)c1cccc(-c2ccc3cnn(-c4cncc(CO)n4)c3c2)n1
InChIInChI=1S/C20H20N6O/c1-2-16(21)18-5-3-4-17(25-18)13-6-7-14-9-23-26(19(14)8-13)20-11-22-10-15(12-27)24-20/h3-11,16,27H,2,12,21H2,1H3/t16-/m0/s1
InChIKeySKIAPZQTHWZYDB-INIZCTEOSA-N
XLogP2.78
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol?
The IUPAC name of [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol (CID 118664374) is [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol.
What is the SMILES notation for [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol?
The canonical SMILES for [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol is CC[C@H](N)c1cccc(-c2ccc3cnn(-c4cncc(CO)n4)c3c2)n1.
What is the InChIKey of [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol?
The InChIKey is SKIAPZQTHWZYDB-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20N6O/c1-2-16(21)18-5-3-4-17(25-18)13-6-7-14-9-23-26(19(14)8-13)20-11-22-10-15(12-27)24-20/h3-11,16,27H,2,12,21H2,1H3/t16-/m0/s1.
What are the key properties of [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol?
[6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol has a molecular weight of 360.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol is sourced from PubChem (CID 118664374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).