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

C21H22N6O — CID 118664732

IUPAC[6-[6-[2-[(1S)-1-aminobutyl]pyrimidin-4-yl]indazol-1-yl]-2-pyridinyl]methanol
SMILESCCC[C@H](N)c1nccc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C21H22N6O/c1-2-4-17(22)21-23-10-9-18(26-21)14-7-8-15-12-24-27(19(15)11-14)20-6-3-5-16(13-28)25-20/h3,5-12,17,28H,2,4,13,22H2,1H3/t17-/m0/s1
InChIKeyMXMHQAWZFPNBKH-KRWDZBQOSA-N
MW374.45 g/mol
LogP3.17
Rot. Bonds6

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

[6-[6-[2-[(1S)-1-aminobutyl]pyrimidin-4-yl]indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 118664732) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is [6-[6-[2-[(1S)-1-aminobutyl]pyrimidin-4-yl]indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[2-[(1S)-1-aminobutyl]pyrimidin-4-yl]indazol-1-yl]-2-pyridinyl]methanol
PubChem CID118664732
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name[6-[6-[2-[(1S)-1-aminobutyl]pyrimidin-4-yl]indazol-1-yl]-2-pyridinyl]methanol
SMILESCCC[C@H](N)c1nccc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C21H22N6O/c1-2-4-17(22)21-23-10-9-18(26-21)14-7-8-15-12-24-27(19(15)11-14)20-6-3-5-16(13-28)25-20/h3,5-12,17,28H,2,4,13,22H2,1H3/t17-/m0/s1
InChIKeyMXMHQAWZFPNBKH-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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Related Compounds

(5-Phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
CID 21066379
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CID 24957306
[4-[[5-(3-Propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 59186268
[5-[8-(ethylamino)-6-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyridin-3-yl]methanol
CID 146597504
7-(Cyclopropylamino)-5-[6-(hydroxymethyl)indol-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70692775
2-[4-[[4-([1,2,4]Triazolo[4,3-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]ethanol
CID 44533020
(1S,2R)-1-phenyl-2-[(1-phenyl-6-propoxypyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
CID 15667134
[4-[(1-Benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methanol
CID 21945809
(4-[1-(3-Fluoro-benzyl)-1H-indazol-5-ylamino]-pyrrolo[2,1-f][1,2,4]triazin-5-yl}-methanol
CID 22390542
[4-[[5-(1-Ethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 59186263
(3-(8-(6-(2-Methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)phenyl)methanol
CID 71451823
3-[6-[6-(6-Methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-ol
CID 72714951

Frequently Asked Questions

What is the IUPAC name of [6-[6-[2-[(1S)-1-aminobutyl]pyrimidin-4-yl]indazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[2-[(1S)-1-aminobutyl]pyrimidin-4-yl]indazol-1-yl]-2-pyridinyl]methanol (CID 118664732) is [6-[6-[2-[(1S)-1-aminobutyl]pyrimidin-4-yl]indazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[2-[(1S)-1-aminobutyl]pyrimidin-4-yl]indazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[2-[(1S)-1-aminobutyl]pyrimidin-4-yl]indazol-1-yl]-2-pyridinyl]methanol is CCC[C@H](N)c1nccc(-c2ccc3cnn(-c4cccc(CO)n4)c3c2)n1.
What is the InChIKey of [6-[6-[2-[(1S)-1-aminobutyl]pyrimidin-4-yl]indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is MXMHQAWZFPNBKH-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H22N6O/c1-2-4-17(22)21-23-10-9-18(26-21)14-7-8-15-12-24-27(19(15)11-14)20-6-3-5-16(13-28)25-20/h3,5-12,17,28H,2,4,13,22H2,1H3/t17-/m0/s1.
What are the key properties of [6-[6-[2-[(1S)-1-aminobutyl]pyrimidin-4-yl]indazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[2-[(1S)-1-aminobutyl]pyrimidin-4-yl]indazol-1-yl]-2-pyridinyl]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 [6-[6-[2-[(1S)-1-aminobutyl]pyrimidin-4-yl]indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 118664732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).