[4-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]-1,2-dihydroindazol-4-yl]methanol

C23H24FN5O — CID 155657520

IUPAC[4-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]-1,2-dihydroindazol-4-yl]methanol
SMILESOCC1(c2nc3c(c(NCc4cccc(F)c4)n2)CCCC3)C=CC=C2NNC=C21
InChIInChI=1S/C23H24FN5O/c24-16-6-3-5-15(11-16)12-25-21-17-7-1-2-8-19(17)27-22(28-21)23(14-30)10-4-9-20-18(23)13-26-29-20/h3-6,9-11,13,26,29-30H,1-2,7-8,12,14H2,(H,25,27,28)
InChIKeyLWOJAKOMAGCVFP-UHFFFAOYSA-N
MW405.48 g/mol
LogP2.78
Rot. Bonds5

About [4-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]-1,2-dihydroindazol-4-yl]methanol

[4-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]-1,2-dihydroindazol-4-yl]methanol (PubChem CID 155657520) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is [4-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]-1,2-dihydroindazol-4-yl]methanol.

Molecular Properties

Compound Name[4-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]-1,2-dihydroindazol-4-yl]methanol
PubChem CID155657520
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name[4-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]-1,2-dihydroindazol-4-yl]methanol
SMILESOCC1(c2nc3c(c(NCc4cccc(F)c4)n2)CCCC3)C=CC=C2NNC=C21
InChIInChI=1S/C23H24FN5O/c24-16-6-3-5-15(11-16)12-25-21-17-7-1-2-8-19(17)27-22(28-21)23(14-30)10-4-9-20-18(23)13-26-29-20/h3-6,9-11,13,26,29-30H,1-2,7-8,12,14H2,(H,25,27,28)
InChIKeyLWOJAKOMAGCVFP-UHFFFAOYSA-N
XLogP2.78
TPSA82.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [4-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]-1,2-dihydroindazol-4-yl]methanol with MolForge

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Related Compounds

2-fluoro-N-[(3-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 118240606
[1-[4-[(3-fluorophenyl)methylamino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]indazol-4-yl]boronic acid
CID 145205676
3-[4-[(3-fluorophenyl)methylamino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 118240215
1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]indazole-4-carboxamide
CID 122685385
2-[(3-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190601
[1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]indazol-4-yl]methanol
CID 118240310
N-benzyl-7-fluoro-1,2,3,4-tetrahydroacridin-9-amine
CID 175457647
methyl 2-[3-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]phenoxy]acetate
CID 133460829
3-[4-[(3-fluorophenyl)methylamino]-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide
CID 118240679
2-[(3-fluorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid
CID 61003365
4-[[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenol
CID 166225658
N-benzyl-2-indazol-1-yl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 172802990

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]-1,2-dihydroindazol-4-yl]methanol?
The IUPAC name of [4-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]-1,2-dihydroindazol-4-yl]methanol (CID 155657520) is [4-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]-1,2-dihydroindazol-4-yl]methanol.
What is the SMILES notation for [4-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]-1,2-dihydroindazol-4-yl]methanol?
The canonical SMILES for [4-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]-1,2-dihydroindazol-4-yl]methanol is OCC1(c2nc3c(c(NCc4cccc(F)c4)n2)CCCC3)C=CC=C2NNC=C21.
What is the InChIKey of [4-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]-1,2-dihydroindazol-4-yl]methanol?
The InChIKey is LWOJAKOMAGCVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c24-16-6-3-5-15(11-16)12-25-21-17-7-1-2-8-19(17)27-22(28-21)23(14-30)10-4-9-20-18(23)13-26-29-20/h3-6,9-11,13,26,29-30H,1-2,7-8,12,14H2,(H,25,27,28).
What are the key properties of [4-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]-1,2-dihydroindazol-4-yl]methanol?
[4-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]-1,2-dihydroindazol-4-yl]methanol has a molecular weight of 405.48 g/mol, XLogP of 2.78, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]-1,2-dihydroindazol-4-yl]methanol is sourced from PubChem (CID 155657520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).