2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one

C23H29N5O2 — CID 163309176

IUPAC2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
SMILESCc1c(C(=O)N2CCCC3(CCc4cnc(N(C)C)nc43)C2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C23H29N5O2/c1-14-18-16(6-4-7-17(18)29)25-19(14)21(30)28-11-5-9-23(13-28)10-8-15-12-24-22(27(2)3)26-20(15)23/h12,25H,4-11,13H2,1-3H3
InChIKeySBBYDJLDTYQPDT-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.82
Rot. Bonds2

About 2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one

2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one (PubChem CID 163309176) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
PubChem CID163309176
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
SMILESCc1c(C(=O)N2CCCC3(CCc4cnc(N(C)C)nc43)C2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C23H29N5O2/c1-14-18-16(6-4-7-17(18)29)25-19(14)21(30)28-11-5-9-23(13-28)10-8-15-12-24-22(27(2)3)26-20(15)23/h12,25H,4-11,13H2,1-3H3
InChIKeySBBYDJLDTYQPDT-UHFFFAOYSA-N
XLogP2.82
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one
CID 135090181
2-methyl-1'-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154567640
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 163312876
(2-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone
CID 163317679
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-pyridazin-4-ylmethanone
CID 163314059
(4-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone
CID 135090739
5-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1H-pyrimidin-6-one
CID 164692530
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-hydroxycyclopentyl)methanone
CID 163304934
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 163318268
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-[1-(hydroxymethyl)cyclopropyl]methanone
CID 164698444
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 163317243
2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]chromen-4-one
CID 163311257

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one (CID 163309176) is 2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one is Cc1c(C(=O)N2CCCC3(CCc4cnc(N(C)C)nc43)C2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of 2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is SBBYDJLDTYQPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-14-18-16(6-4-7-17(18)29)25-19(14)21(30)28-11-5-9-23(13-28)10-8-15-12-24-22(27(2)3)26-20(15)23/h12,25H,4-11,13H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one?
2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 407.52 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 163309176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).