4-[6-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridinyl]phenol

C20H18N4O — CID 122531747

IUPAC4-[6-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridinyl]phenol
SMILESCCc1c(-c2ccc(O)cc2)cnc(N)c1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C20H18N4O/c1-2-16-17(12-3-6-15(25)7-4-12)11-22-20(21)19(16)13-5-8-18-14(9-13)10-23-24-18/h3-11,25H,2H2,1H3,(H2,21,22)(H,23,24)
InChIKeyNQRLDOCCPNSDNH-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.14
Rot. Bonds3

About 4-[6-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridinyl]phenol

4-[6-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridinyl]phenol (PubChem CID 122531747) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-[6-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridinyl]phenol.

Molecular Properties

Compound Name4-[6-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridinyl]phenol
PubChem CID122531747
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name4-[6-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridinyl]phenol
SMILESCCc1c(-c2ccc(O)cc2)cnc(N)c1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C20H18N4O/c1-2-16-17(12-3-6-15(25)7-4-12)11-22-20(21)19(16)13-5-8-18-14(9-13)10-23-24-18/h3-11,25H,2H2,1H3,(H2,21,22)(H,23,24)
InChIKeyNQRLDOCCPNSDNH-UHFFFAOYSA-N
XLogP4.14
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Intoplicine
CID 65954
4-(2-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridyl)phenol
CID 122531786
4-(3-(Quinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenol
CID 44223353
2,6-Dimethyl-4-[2-(2-methylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol
CID 71453547
4-[2-amino-4-ethyl-5-(1H-indazol-6-yl)-3-pyridinyl]phenol
CID 122531784
N-[5-(3-pyridyl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
CID 135848026
2-(4-((3s,4r)-4-(2-Hydroxypropan-2-yl)pyrrolidin-3-ylamino)quinazolin-2-yl)-4-(1h-pyrazol-4-yl)phenol
CID 136068463
(s)-4-(1h-Pyrazol-4-yl)-2-(4-(pyrrolidin-3-ylamino)quinazolin-2-yl)phenol
CID 136068537
4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenol
CID 164611345
[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]urea
CID 164619498
4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenol
CID 164627319
N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methanesulfonamide
CID 164627876

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridinyl]phenol?
The IUPAC name of 4-[6-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridinyl]phenol (CID 122531747) is 4-[6-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridinyl]phenol.
What is the SMILES notation for 4-[6-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridinyl]phenol?
The canonical SMILES for 4-[6-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridinyl]phenol is CCc1c(-c2ccc(O)cc2)cnc(N)c1-c1ccc2[nH]ncc2c1.
What is the InChIKey of 4-[6-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridinyl]phenol?
The InChIKey is NQRLDOCCPNSDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-2-16-17(12-3-6-15(25)7-4-12)11-22-20(21)19(16)13-5-8-18-14(9-13)10-23-24-18/h3-11,25H,2H2,1H3,(H2,21,22)(H,23,24).
What are the key properties of 4-[6-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridinyl]phenol?
4-[6-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridinyl]phenol has a molecular weight of 330.39 g/mol, XLogP of 4.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridinyl]phenol is sourced from PubChem (CID 122531747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).