2-[(3S)-3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide

C24H23Cl2N5O2 — CID 155089597

IUPAC2-[(3S)-3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1nc(N2CCC3(CC2)Oc2ccccc2[C@@H]3N)nc(C(N)=O)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C24H23Cl2N5O2/c1-13-18(15-6-4-7-16(25)19(15)26)20(22(28)32)30-23(29-13)31-11-9-24(10-12-31)21(27)14-5-2-3-8-17(14)33-24/h2-8,21H,9-12,27H2,1H3,(H2,28,32)/t21-/m0/s1
InChIKeyBLCIDIAYQMYEOC-NRFANRHFSA-N
MW484.39 g/mol
LogP4.29
Rot. Bonds3

About 2-[(3S)-3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide

2-[(3S)-3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 155089597) has the molecular formula C24H23Cl2N5O2 and a molecular weight of 484.39 g/mol. Its IUPAC name is 2-[(3S)-3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(3S)-3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID155089597
Molecular FormulaC24H23Cl2N5O2
Molecular Weight484.39 g/mol
Exact Mass483.12
IUPAC Name2-[(3S)-3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1nc(N2CCC3(CC2)Oc2ccccc2[C@@H]3N)nc(C(N)=O)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C24H23Cl2N5O2/c1-13-18(15-6-4-7-16(25)19(15)26)20(22(28)32)30-23(29-13)31-11-9-24(10-12-31)21(27)14-5-2-3-8-17(14)33-24/h2-8,21H,9-12,27H2,1H3,(H2,28,32)/t21-/m0/s1
InChIKeyBLCIDIAYQMYEOC-NRFANRHFSA-N
XLogP4.29
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.39
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3S)-3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide 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

2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 155095691
6-amino-2-[(3S)-3-aminospiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
CID 155095685
5-(2,3-dichlorophenyl)-6-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 155690377
(3R)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine
CID 156704430
2-[(3R,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 155089393
6-amino-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
CID 155095692
5-(2,3-dichlorophenyl)-6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidine-4-carboxamide
CID 155089518
2-(3-aminospiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-1'-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile
CID 155089411
6-amino-5-(2,3-dichlorophenyl)-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 155690425
3-(2,3-dichlorophenyl)-2-methyl-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyridine-4-carboxamide
CID 166933352
6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazine-2-carboxamide
CID 155401025
2-[(2R)-2-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile
CID 156806027

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[(3S)-3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide (CID 155089597) is 2-[(3S)-3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(3S)-3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[(3S)-3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide is Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@@H]3N)nc(C(N)=O)c1-c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(3S)-3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is BLCIDIAYQMYEOC-NRFANRHFSA-N. The full InChI is InChI=1S/C24H23Cl2N5O2/c1-13-18(15-6-4-7-16(25)19(15)26)20(22(28)32)30-23(29-13)31-11-9-24(10-12-31)21(27)14-5-2-3-8-17(14)33-24/h2-8,21H,9-12,27H2,1H3,(H2,28,32)/t21-/m0/s1.
What are the key properties of 2-[(3S)-3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
2-[(3S)-3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 484.39 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 155089597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).