1'-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(4-methylpiperazin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];tris(2,2,2-trifluoroacetic acid)

C31H36F9N5O7 — CID 155828058

IUPAC1'-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(4-methylpiperazin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];tris(2,2,2-trifluoroacetic acid)
SMILESCN1CCN(c2ncc3c(n2)C2(CCN(Cc4ccc5c(c4)CCC5)C2)COC3)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C25H33N5O.3C2HF3O2/c1-28-9-11-30(12-10-28)24-26-14-22-16-31-18-25(23(22)27-24)7-8-29(17-25)15-19-5-6-20-3-2-4-21(20)13-19;3*3-2(4,5)1(6)7/h5-6,13-14H,2-4,7-12,15-18H2,1H3;3*(H,6,7)
InChIKeyFQVNBJVEYVIDES-UHFFFAOYSA-N
MW761.64 g/mol
LogP4.29
Rot. Bonds3

About 1'-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(4-methylpiperazin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];tris(2,2,2-trifluoroacetic acid)

1'-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(4-methylpiperazin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];tris(2,2,2-trifluoroacetic acid) (PubChem CID 155828058) has the molecular formula C31H36F9N5O7 and a molecular weight of 761.64 g/mol. Its IUPAC name is 1'-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(4-methylpiperazin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1'-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(4-methylpiperazin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];tris(2,2,2-trifluoroacetic acid)
PubChem CID155828058
Molecular FormulaC31H36F9N5O7
Molecular Weight761.64 g/mol
Exact Mass761.25
IUPAC Name1'-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(4-methylpiperazin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];tris(2,2,2-trifluoroacetic acid)
SMILESCN1CCN(c2ncc3c(n2)C2(CCN(Cc4ccc5c(c4)CCC5)C2)COC3)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C25H33N5O.3C2HF3O2/c1-28-9-11-30(12-10-28)24-26-14-22-16-31-18-25(23(22)27-24)7-8-29(17-25)15-19-5-6-20-3-2-4-21(20)13-19;3*3-2(4,5)1(6)7/h5-6,13-14H,2-4,7-12,15-18H2,1H3;3*(H,6,7)
InChIKeyFQVNBJVEYVIDES-UHFFFAOYSA-N
XLogP4.29
TPSA156.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500761.64
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1'-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(4-methylpiperazin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];tris(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-(cyclopropylmethyl)-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];2,2,2-trifluoroacetic acid
CID 155859921
(8R)-1'-[(2-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 124814711
1'-[(4-chlorophenyl)methyl]-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];2,2,2-trifluoroacetic acid
CID 155832043
1'-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];hydrochloride
CID 155831481
2-ethoxy-4-(spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-ylmethyl)phenol;2,2,2-trifluoroacetic acid
CID 155853573
1-[1'-(naphthalen-1-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-yl]pyrrolidin-2-one
CID 155844108
1-[1'-[(2-methylsulfanylphenyl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-yl]pyrrolidin-2-one
CID 131648082
[(8R)-2-(4-methylpiperazin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-[(3S)-oxolan-3-yl]methanone
CID 124821921
N,N-dimethyl-1'-[(5-nitrothiophen-2-yl)methyl]spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155827973
[2-(4,4-difluoropiperidin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155849548
3,3-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)butan-1-one
CID 131653847
1'-[(3-methoxyphenyl)methyl]-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 131655121

Frequently Asked Questions

What is the IUPAC name of 1'-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(4-methylpiperazin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1'-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(4-methylpiperazin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];tris(2,2,2-trifluoroacetic acid) (CID 155828058) is 1'-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(4-methylpiperazin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1'-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(4-methylpiperazin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1'-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(4-methylpiperazin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];tris(2,2,2-trifluoroacetic acid) is CN1CCN(c2ncc3c(n2)C2(CCN(Cc4ccc5c(c4)CCC5)C2)COC3)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1'-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(4-methylpiperazin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];tris(2,2,2-trifluoroacetic acid)?
The InChIKey is FQVNBJVEYVIDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O.3C2HF3O2/c1-28-9-11-30(12-10-28)24-26-14-22-16-31-18-25(23(22)27-24)7-8-29(17-25)15-19-5-6-20-3-2-4-21(20)13-19;3*3-2(4,5)1(6)7/h5-6,13-14H,2-4,7-12,15-18H2,1H3;3*(H,6,7).
What are the key properties of 1'-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(4-methylpiperazin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];tris(2,2,2-trifluoroacetic acid)?
1'-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(4-methylpiperazin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];tris(2,2,2-trifluoroacetic acid) has a molecular weight of 761.64 g/mol, XLogP of 4.29, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(4-methylpiperazin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine];tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155828058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).