6-cyclopropyl-2-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide

C21H21N7O2 — CID 66554729

IUPAC6-cyclopropyl-2-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide
SMILESCC(C)Nc1nnc(-c2ccc3[nH]cc(-c4nc(C(N)=O)cc(C5CC5)n4)c3c2)o1
InChIInChI=1S/C21H21N7O2/c1-10(2)24-21-28-27-20(30-21)12-5-6-15-13(7-12)14(9-23-15)19-25-16(11-3-4-11)8-17(26-19)18(22)29/h5-11,23H,3-4H2,1-2H3,(H2,22,29)(H,24,28)
InChIKeyXFXGUOSEGMYBDJ-UHFFFAOYSA-N
MW403.45 g/mol
LogP3.47
Rot. Bonds6

About 6-cyclopropyl-2-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide

6-cyclopropyl-2-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide (PubChem CID 66554729) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 6-cyclopropyl-2-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-2-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide
PubChem CID66554729
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name6-cyclopropyl-2-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide
SMILESCC(C)Nc1nnc(-c2ccc3[nH]cc(-c4nc(C(N)=O)cc(C5CC5)n4)c3c2)o1
InChIInChI=1S/C21H21N7O2/c1-10(2)24-21-28-27-20(30-21)12-5-6-15-13(7-12)14(9-23-15)19-25-16(11-3-4-11)8-17(26-19)18(22)29/h5-11,23H,3-4H2,1-2H3,(H2,22,29)(H,24,28)
InChIKeyXFXGUOSEGMYBDJ-UHFFFAOYSA-N
XLogP3.47
TPSA135.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-2-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide (CID 66554729) is 6-cyclopropyl-2-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-2-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-2-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide is CC(C)Nc1nnc(-c2ccc3[nH]cc(-c4nc(C(N)=O)cc(C5CC5)n4)c3c2)o1.
What is the InChIKey of 6-cyclopropyl-2-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide?
The InChIKey is XFXGUOSEGMYBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-10(2)24-21-28-27-20(30-21)12-5-6-15-13(7-12)14(9-23-15)19-25-16(11-3-4-11)8-17(26-19)18(22)29/h5-11,23H,3-4H2,1-2H3,(H2,22,29)(H,24,28).
What are the key properties of 6-cyclopropyl-2-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide?
6-cyclopropyl-2-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 66554729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).