3-anilino-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one

C23H24N4O — CID 118607277

IUPAC3-anilino-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one
SMILESO=C1CCCc2[nH]c(-c3ccnc(NCC4CC4)c3)c(Nc3ccccc3)c21
InChIInChI=1S/C23H24N4O/c28-19-8-4-7-18-21(19)23(26-17-5-2-1-3-6-17)22(27-18)16-11-12-24-20(13-16)25-14-15-9-10-15/h1-3,5-6,11-13,15,26-27H,4,7-10,14H2,(H,24,25)
InChIKeySASVETZAHYIPKB-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.16
Rot. Bonds6

About 3-anilino-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one

3-anilino-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one (PubChem CID 118607277) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-anilino-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name3-anilino-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one
PubChem CID118607277
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name3-anilino-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one
SMILESO=C1CCCc2[nH]c(-c3ccnc(NCC4CC4)c3)c(Nc3ccccc3)c21
InChIInChI=1S/C23H24N4O/c28-19-8-4-7-18-21(19)23(26-17-5-2-1-3-6-17)22(27-18)16-11-12-24-20(13-16)25-14-15-9-10-15/h1-3,5-6,11-13,15,26-27H,4,7-10,14H2,(H,24,25)
InChIKeySASVETZAHYIPKB-UHFFFAOYSA-N
XLogP5.16
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 3-anilino-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one (CID 118607277) is 3-anilino-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 3-anilino-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 3-anilino-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one is O=C1CCCc2[nH]c(-c3ccnc(NCC4CC4)c3)c(Nc3ccccc3)c21.
What is the InChIKey of 3-anilino-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is SASVETZAHYIPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c28-19-8-4-7-18-21(19)23(26-17-5-2-1-3-6-17)22(27-18)16-11-12-24-20(13-16)25-14-15-9-10-15/h1-3,5-6,11-13,15,26-27H,4,7-10,14H2,(H,24,25).
What are the key properties of 3-anilino-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one?
3-anilino-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 372.47 g/mol, XLogP of 5.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-2-[2-(cyclopropylmethylamino)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 118607277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).