[2-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]pyrimidin-4-yl]methanol

C21H22N6O — CID 118664096

IUPAC[2-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]pyrimidin-4-yl]methanol
SMILESCCC[C@H](N)c1cccc(-c2ccc3cnn(-c4nccc(CO)n4)c3c2)n1
InChIInChI=1S/C21H22N6O/c1-2-4-17(22)19-6-3-5-18(26-19)14-7-8-15-12-24-27(20(15)11-14)21-23-10-9-16(13-28)25-21/h3,5-12,17,28H,2,4,13,22H2,1H3/t17-/m0/s1
InChIKeyHYIQESGAVIQNKP-KRWDZBQOSA-N
MW374.45 g/mol
LogP3.17
Rot. Bonds6

About [2-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]pyrimidin-4-yl]methanol

[2-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]pyrimidin-4-yl]methanol (PubChem CID 118664096) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is [2-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]pyrimidin-4-yl]methanol
PubChem CID118664096
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name[2-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]pyrimidin-4-yl]methanol
SMILESCCC[C@H](N)c1cccc(-c2ccc3cnn(-c4nccc(CO)n4)c3c2)n1
InChIInChI=1S/C21H22N6O/c1-2-4-17(22)19-6-3-5-18(26-19)14-7-8-15-12-24-27(20(15)11-14)21-23-10-9-16(13-28)25-21/h3,5-12,17,28H,2,4,13,22H2,1H3/t17-/m0/s1
InChIKeyHYIQESGAVIQNKP-KRWDZBQOSA-N
XLogP3.17
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]pyrimidin-4-yl]methanol?
The IUPAC name of [2-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]pyrimidin-4-yl]methanol (CID 118664096) is [2-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]pyrimidin-4-yl]methanol?
The canonical SMILES for [2-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]pyrimidin-4-yl]methanol is CCC[C@H](N)c1cccc(-c2ccc3cnn(-c4nccc(CO)n4)c3c2)n1.
What is the InChIKey of [2-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]pyrimidin-4-yl]methanol?
The InChIKey is HYIQESGAVIQNKP-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H22N6O/c1-2-4-17(22)19-6-3-5-18(26-19)14-7-8-15-12-24-27(20(15)11-14)21-23-10-9-16(13-28)25-21/h3,5-12,17,28H,2,4,13,22H2,1H3/t17-/m0/s1.
What are the key properties of [2-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]pyrimidin-4-yl]methanol?
[2-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]pyrimidin-4-yl]methanol has a molecular weight of 374.45 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-[6-[(1S)-1-aminobutyl]-2-pyridinyl]indazol-1-yl]pyrimidin-4-yl]methanol is sourced from PubChem (CID 118664096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).