[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-methylindazol-3-yl)methanone

C22H26N6O — CID 135087267

IUPAC[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-methylindazol-3-yl)methanone
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)c3nn(C)c4ccccc34)C1)CC2
InChIInChI=1S/C22H26N6O/c1-26(2)21-23-13-15-9-11-22(19(15)24-21)10-6-12-28(14-22)20(29)18-16-7-4-5-8-17(16)27(3)25-18/h4-5,7-8,13H,6,9-12,14H2,1-3H3
InChIKeyZFLDEGZNDJWLGU-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.55
Rot. Bonds2

About [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-methylindazol-3-yl)methanone

[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-methylindazol-3-yl)methanone (PubChem CID 135087267) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-methylindazol-3-yl)methanone
PubChem CID135087267
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-methylindazol-3-yl)methanone
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)c3nn(C)c4ccccc34)C1)CC2
InChIInChI=1S/C22H26N6O/c1-26(2)21-23-13-15-9-11-22(19(15)24-21)10-6-12-28(14-22)20(29)18-16-7-4-5-8-17(16)27(3)25-18/h4-5,7-8,13H,6,9-12,14H2,1-3H3
InChIKeyZFLDEGZNDJWLGU-UHFFFAOYSA-N
XLogP2.55
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(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]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 163317243
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-pyridazin-4-ylmethanone
CID 163314059
2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]chromen-4-one
CID 163311257
(4-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone
CID 135090739
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 135096020
[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]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 163312876
3-[3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-oxopropyl]quinazolin-4-one
CID 135089097
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-quinolin-6-ylmethanone
CID 135108033
4-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one
CID 135090181
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-[1-(hydroxymethyl)cyclopropyl]methanone
CID 164698444

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-methylindazol-3-yl)methanone?
The IUPAC name of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-methylindazol-3-yl)methanone (CID 135087267) is [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-methylindazol-3-yl)methanone?
The canonical SMILES for [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-methylindazol-3-yl)methanone is CN(C)c1ncc2c(n1)C1(CCCN(C(=O)c3nn(C)c4ccccc34)C1)CC2.
What is the InChIKey of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-methylindazol-3-yl)methanone?
The InChIKey is ZFLDEGZNDJWLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-26(2)21-23-13-15-9-11-22(19(15)24-21)10-6-12-28(14-22)20(29)18-16-7-4-5-8-17(16)27(3)25-18/h4-5,7-8,13H,6,9-12,14H2,1-3H3.
What are the key properties of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-methylindazol-3-yl)methanone?
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-methylindazol-3-yl)methanone has a molecular weight of 390.49 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 135087267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).