N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]quinazolin-4-amine

C22H15F2N5 — CID 177383211

IUPACN-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]quinazolin-4-amine
SMILESFc1cc(F)cc(Cc2ccc3[nH]nc(Nc4ncnc5ccccc45)c3c2)c1
InChIInChI=1S/C22H15F2N5/c23-15-8-14(9-16(24)11-15)7-13-5-6-20-18(10-13)22(29-28-20)27-21-17-3-1-2-4-19(17)25-12-26-21/h1-6,8-12H,7H2,(H2,25,26,27,28,29)
InChIKeyXNDKYUXMARUHPY-UHFFFAOYSA-N
MW387.39 g/mol
LogP5.12
Rot. Bonds4

About N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]quinazolin-4-amine

N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]quinazolin-4-amine (PubChem CID 177383211) has the molecular formula C22H15F2N5 and a molecular weight of 387.39 g/mol. Its IUPAC name is N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]quinazolin-4-amine
PubChem CID177383211
Molecular FormulaC22H15F2N5
Molecular Weight387.39 g/mol
Exact Mass387.13
IUPAC NameN-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]quinazolin-4-amine
SMILESFc1cc(F)cc(Cc2ccc3[nH]nc(Nc4ncnc5ccccc45)c3c2)c1
InChIInChI=1S/C22H15F2N5/c23-15-8-14(9-16(24)11-15)7-13-5-6-20-18(10-13)22(29-28-20)27-21-17-3-1-2-4-19(17)25-12-26-21/h1-6,8-12H,7H2,(H2,25,26,27,28,29)
InChIKeyXNDKYUXMARUHPY-UHFFFAOYSA-N
XLogP5.12
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.39
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]quinazolin-4-amine?
The IUPAC name of N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]quinazolin-4-amine (CID 177383211) is N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]quinazolin-4-amine.
What is the SMILES notation for N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]quinazolin-4-amine?
The canonical SMILES for N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]quinazolin-4-amine is Fc1cc(F)cc(Cc2ccc3[nH]nc(Nc4ncnc5ccccc45)c3c2)c1.
What is the InChIKey of N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]quinazolin-4-amine?
The InChIKey is XNDKYUXMARUHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N5/c23-15-8-14(9-16(24)11-15)7-13-5-6-20-18(10-13)22(29-28-20)27-21-17-3-1-2-4-19(17)25-12-26-21/h1-6,8-12H,7H2,(H2,25,26,27,28,29).
What are the key properties of N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]quinazolin-4-amine?
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]quinazolin-4-amine has a molecular weight of 387.39 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]quinazolin-4-amine is sourced from PubChem (CID 177383211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).