1-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea

C23H23N5O2 — CID 118607242

IUPAC1-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea
SMILESO=C(Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CCC3)ccn1)NC1CC1
InChIInChI=1S/C23H23N5O2/c29-18-8-4-7-17-20(18)22(25-15-5-2-1-3-6-15)21(27-17)14-11-12-24-19(13-14)28-23(30)26-16-9-10-16/h1-3,5-6,11-13,16,25,27H,4,7-10H2,(H2,24,26,28,30)
InChIKeyOJVPFWYIGFTCBT-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.62
Rot. Bonds5

About 1-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea

1-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea (PubChem CID 118607242) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea
PubChem CID118607242
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name1-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea
SMILESO=C(Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CCC3)ccn1)NC1CC1
InChIInChI=1S/C23H23N5O2/c29-18-8-4-7-17-20(18)22(25-15-5-2-1-3-6-15)21(27-17)14-11-12-24-19(13-14)28-23(30)26-16-9-10-16/h1-3,5-6,11-13,16,25,27H,4,7-10H2,(H2,24,26,28,30)
InChIKeyOJVPFWYIGFTCBT-UHFFFAOYSA-N
XLogP4.62
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea?
The IUPAC name of 1-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea (CID 118607242) is 1-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea?
The canonical SMILES for 1-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea is O=C(Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CCC3)ccn1)NC1CC1.
What is the InChIKey of 1-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea?
The InChIKey is OJVPFWYIGFTCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c29-18-8-4-7-17-20(18)22(25-15-5-2-1-3-6-15)21(27-17)14-11-12-24-19(13-14)28-23(30)26-16-9-10-16/h1-3,5-6,11-13,16,25,27H,4,7-10H2,(H2,24,26,28,30).
What are the key properties of 1-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea?
1-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea has a molecular weight of 401.47 g/mol, XLogP of 4.62, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea is sourced from PubChem (CID 118607242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).