2-cyclopropyl-1'-(3-methyl-1-propylpyrazole-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

C22H29N5O2 — CID 154817402

IUPAC2-cyclopropyl-1'-(3-methyl-1-propylpyrazole-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESCCCn1cc(C(=O)N2CCCC3(CCc4c3nc(C3CC3)[nH]c4=O)C2)c(C)n1
InChIInChI=1S/C22H29N5O2/c1-3-10-27-12-17(14(2)25-27)21(29)26-11-4-8-22(13-26)9-7-16-18(22)23-19(15-5-6-15)24-20(16)28/h12,15H,3-11,13H2,1-2H3,(H,23,24,28)
InChIKeyGTVCDRZBCZLAEN-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.68
Rot. Bonds4

About 2-cyclopropyl-1'-(3-methyl-1-propylpyrazole-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

2-cyclopropyl-1'-(3-methyl-1-propylpyrazole-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (PubChem CID 154817402) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-cyclopropyl-1'-(3-methyl-1-propylpyrazole-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.

Molecular Properties

Compound Name2-cyclopropyl-1'-(3-methyl-1-propylpyrazole-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
PubChem CID154817402
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name2-cyclopropyl-1'-(3-methyl-1-propylpyrazole-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESCCCn1cc(C(=O)N2CCCC3(CCc4c3nc(C3CC3)[nH]c4=O)C2)c(C)n1
InChIInChI=1S/C22H29N5O2/c1-3-10-27-12-17(14(2)25-27)21(29)26-11-4-8-22(13-26)9-7-16-18(22)23-19(15-5-6-15)24-20(16)28/h12,15H,3-11,13H2,1-2H3,(H,23,24,28)
InChIKeyGTVCDRZBCZLAEN-UHFFFAOYSA-N
XLogP2.68
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-1'-(4-hydroxy-2-methylbenzoyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564878
2-cyclopropyl-1'-(2-ethoxyacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154818410
2-cyclopropyl-1'-(1H-imidazole-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154820188
2-cyclopropyl-1'-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154571460
1-[2-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 154563479
2-cyclopropyl-1'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154566323
1'-(1,3-benzodioxole-5-carbonyl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 155492985
2-cyclopropyl-1'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154570528
4-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4-oxobutane-1-sulfonamide
CID 154570182
2-cyclopropyl-1'-[3-(3-fluorophenyl)propanoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154817498
(5S)-3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95728756
1'-(5-chloropyrimidin-2-yl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154563906

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1'-(3-methyl-1-propylpyrazole-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The IUPAC name of 2-cyclopropyl-1'-(3-methyl-1-propylpyrazole-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (CID 154817402) is 2-cyclopropyl-1'-(3-methyl-1-propylpyrazole-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.
What is the SMILES notation for 2-cyclopropyl-1'-(3-methyl-1-propylpyrazole-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The canonical SMILES for 2-cyclopropyl-1'-(3-methyl-1-propylpyrazole-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is CCCn1cc(C(=O)N2CCCC3(CCc4c3nc(C3CC3)[nH]c4=O)C2)c(C)n1.
What is the InChIKey of 2-cyclopropyl-1'-(3-methyl-1-propylpyrazole-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The InChIKey is GTVCDRZBCZLAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-3-10-27-12-17(14(2)25-27)21(29)26-11-4-8-22(13-26)9-7-16-18(22)23-19(15-5-6-15)24-20(16)28/h12,15H,3-11,13H2,1-2H3,(H,23,24,28).
What are the key properties of 2-cyclopropyl-1'-(3-methyl-1-propylpyrazole-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
2-cyclopropyl-1'-(3-methyl-1-propylpyrazole-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one has a molecular weight of 395.51 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1'-(3-methyl-1-propylpyrazole-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is sourced from PubChem (CID 154817402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).