5-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]pentan-1-ol

C17H21N5O — CID 170351981

IUPAC5-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]pentan-1-ol
SMILESNc1n[nH]c2ccc(-c3ccnc(NCCCCCO)c3)cc12
InChIInChI=1S/C17H21N5O/c18-17-14-10-12(4-5-15(14)21-22-17)13-6-8-20-16(11-13)19-7-2-1-3-9-23/h4-6,8,10-11,23H,1-3,7,9H2,(H,19,20)(H3,18,21,22)
InChIKeyGAVJXPKRORCTHA-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.78
Rot. Bonds7

About 5-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]pentan-1-ol

5-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]pentan-1-ol (PubChem CID 170351981) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]pentan-1-ol
PubChem CID170351981
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name5-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]pentan-1-ol
SMILESNc1n[nH]c2ccc(-c3ccnc(NCCCCCO)c3)cc12
InChIInChI=1S/C17H21N5O/c18-17-14-10-12(4-5-15(14)21-22-17)13-6-8-20-16(11-13)19-7-2-1-3-9-23/h4-6,8,10-11,23H,1-3,7,9H2,(H,19,20)(H3,18,21,22)
InChIKeyGAVJXPKRORCTHA-UHFFFAOYSA-N
XLogP2.78
TPSA99.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Trans-4-{[4-(1h-Indazol-1-Yl)pyrimidin-2-Yl]amino}cyclohexanol
CID 24957306
3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CID 70679308
3-(5-ethyl-1-methyl-1H-pyrazol-3-yl)-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 71548179
4-(4-(5-(1-Methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)pyridin-2-yl)morpholine
CID 90401078
1-(2,4-dimethylphenyl)-N-(3-methoxypropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 1606723
1-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]-3-(3,5-dimethylphenyl)urea
CID 11610420
4-[[4-(1H-indazol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 24960635
[[[4-(1H-indazol-5-yl)-2-pyridinyl]amino]-phosphonomethyl]phosphonic acid
CID 54673849
3-methyl-N-(4-methylphenyl)-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 59618871
1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-ol
CID 67959841
4-N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(1H-indol-5-yl)ethyl]pyrimidine-2,4-diamine
CID 71529158
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
CID 71529249

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]pentan-1-ol?
The IUPAC name of 5-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]pentan-1-ol (CID 170351981) is 5-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]pentan-1-ol?
The canonical SMILES for 5-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]pentan-1-ol is Nc1n[nH]c2ccc(-c3ccnc(NCCCCCO)c3)cc12.
What is the InChIKey of 5-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]pentan-1-ol?
The InChIKey is GAVJXPKRORCTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c18-17-14-10-12(4-5-15(14)21-22-17)13-6-8-20-16(11-13)19-7-2-1-3-9-23/h4-6,8,10-11,23H,1-3,7,9H2,(H,19,20)(H3,18,21,22).
What are the key properties of 5-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]pentan-1-ol?
5-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]pentan-1-ol has a molecular weight of 311.39 g/mol, XLogP of 2.78, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]pentan-1-ol is sourced from PubChem (CID 170351981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).