N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine

C23H19FN4O — CID 2026875

IUPACN-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine
SMILESFc1ccc([C@H](CCNc2ncnc3c2[nH]c2ccccc23)c2ccco2)cc1
InChIInChI=1S/C23H19FN4O/c24-16-9-7-15(8-10-16)17(20-6-3-13-29-20)11-12-25-23-22-21(26-14-27-23)18-4-1-2-5-19(18)28-22/h1-10,13-14,17,28H,11-12H2,(H,25,26,27)/t17-/m0/s1
InChIKeySTNXDKSUVRJLFH-KRWDZBQOSA-N
MW386.43 g/mol
LogP5.48
Rot. Bonds6

About N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine

N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine (PubChem CID 2026875) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine.

Molecular Properties

Compound NameN-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine
PubChem CID2026875
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC NameN-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine
SMILESFc1ccc([C@H](CCNc2ncnc3c2[nH]c2ccccc23)c2ccco2)cc1
InChIInChI=1S/C23H19FN4O/c24-16-9-7-15(8-10-16)17(20-6-3-13-29-20)11-12-25-23-22-21(26-14-27-23)18-4-1-2-5-19(18)28-22/h1-10,13-14,17,28H,11-12H2,(H,25,26,27)/t17-/m0/s1
InChIKeySTNXDKSUVRJLFH-KRWDZBQOSA-N
XLogP5.48
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine?
The IUPAC name of N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine (CID 2026875) is N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine.
What is the SMILES notation for N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine?
The canonical SMILES for N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine is Fc1ccc([C@H](CCNc2ncnc3c2[nH]c2ccccc23)c2ccco2)cc1.
What is the InChIKey of N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine?
The InChIKey is STNXDKSUVRJLFH-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H19FN4O/c24-16-9-7-15(8-10-16)17(20-6-3-13-29-20)11-12-25-23-22-21(26-14-27-23)18-4-1-2-5-19(18)28-22/h1-10,13-14,17,28H,11-12H2,(H,25,26,27)/t17-/m0/s1.
What are the key properties of N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine?
N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine has a molecular weight of 386.43 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine is sourced from PubChem (CID 2026875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).