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

C19H18N6O — CID 118664225

IUPAC[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol
SMILESC[C@H](N)c1cccc(-c2ccc3cnn(-c4cncc(CO)n4)c3c2)n1
InChIInChI=1S/C19H18N6O/c1-12(20)16-3-2-4-17(24-16)13-5-6-14-8-22-25(18(14)7-13)19-10-21-9-15(11-26)23-19/h2-10,12,26H,11,20H2,1H3/t12-/m0/s1
InChIKeyQBHQKEWWQAYWIR-LBPRGKRZSA-N
MW346.39 g/mol
LogP2.39
Rot. Bonds4

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

[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol (PubChem CID 118664225) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol
PubChem CID118664225
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol
SMILESC[C@H](N)c1cccc(-c2ccc3cnn(-c4cncc(CO)n4)c3c2)n1
InChIInChI=1S/C19H18N6O/c1-12(20)16-3-2-4-17(24-16)13-5-6-14-8-22-25(18(14)7-13)19-10-21-9-15(11-26)23-19/h2-10,12,26H,11,20H2,1H3/t12-/m0/s1
InChIKeyQBHQKEWWQAYWIR-LBPRGKRZSA-N
XLogP2.39
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.39
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-aminoethyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol?
The IUPAC name of [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol (CID 118664225) is [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol.
What is the SMILES notation for [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol?
The canonical SMILES for [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol is C[C@H](N)c1cccc(-c2ccc3cnn(-c4cncc(CO)n4)c3c2)n1.
What is the InChIKey of [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol?
The InChIKey is QBHQKEWWQAYWIR-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18N6O/c1-12(20)16-3-2-4-17(24-16)13-5-6-14-8-22-25(18(14)7-13)19-10-21-9-15(11-26)23-19/h2-10,12,26H,11,20H2,1H3/t12-/m0/s1.
What are the key properties of [6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol?
[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol has a molecular weight of 346.39 g/mol, XLogP of 2.39, 4 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-aminoethyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol is sourced from PubChem (CID 118664225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).