1-[4-[(1-methylpyrazol-4-yl)methylamino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone

C23H27N7O — CID 156584249

IUPAC1-[4-[(1-methylpyrazol-4-yl)methylamino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone
SMILESCC(=O)N1CCCC2(CCc3c(NCc4cnn(C)c4)nc(-c4cccnc4)nc32)C1
InChIInChI=1S/C23H27N7O/c1-16(31)30-10-4-7-23(15-30)8-6-19-20(23)27-21(18-5-3-9-24-13-18)28-22(19)25-11-17-12-26-29(2)14-17/h3,5,9,12-14H,4,6-8,10-11,15H2,1-2H3,(H,25,27,28)
InChIKeyMRRSNTMGVBFEJI-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.71
Rot. Bonds4

About 1-[4-[(1-methylpyrazol-4-yl)methylamino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone

1-[4-[(1-methylpyrazol-4-yl)methylamino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone (PubChem CID 156584249) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 1-[4-[(1-methylpyrazol-4-yl)methylamino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(1-methylpyrazol-4-yl)methylamino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone
PubChem CID156584249
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name1-[4-[(1-methylpyrazol-4-yl)methylamino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone
SMILESCC(=O)N1CCCC2(CCc3c(NCc4cnn(C)c4)nc(-c4cccnc4)nc32)C1
InChIInChI=1S/C23H27N7O/c1-16(31)30-10-4-7-23(15-30)8-6-19-20(23)27-21(18-5-3-9-24-13-18)28-22(19)25-11-17-12-26-29(2)14-17/h3,5,9,12-14H,4,6-8,10-11,15H2,1-2H3,(H,25,27,28)
InChIKeyMRRSNTMGVBFEJI-UHFFFAOYSA-N
XLogP2.71
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[(1-methylpyrazol-4-yl)methylamino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone with MolForge

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Related Compounds

1-[4-[(3-methyloxetan-3-yl)methylamino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone
CID 155912828
1'-propyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-amine
CID 155911308
2-[(1'-acetyl-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)-methylamino]acetamide
CID 155912435
2-[[1'-(3-methylbut-2-enyl)-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl]amino]ethanol
CID 154822123
2-[[1'-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl]amino]acetamide
CID 155910925
N-[2-oxo-2-(4-oxo-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]acetamide
CID 154566009
1-[4-[ethyl(methyl)amino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-methoxypropan-1-one
CID 155913178
1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone
CID 134075887
1'-[2-(methylamino)pyrimidine-5-carbonyl]-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154565855
1-[2-tert-butyl-4-[2-(triazol-1-yl)ethylamino]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone
CID 157016932
1'-(1-aminocyclopentanecarbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564282
1'-(cyclohexanecarbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154570554

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methylpyrazol-4-yl)methylamino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone?
The IUPAC name of 1-[4-[(1-methylpyrazol-4-yl)methylamino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone (CID 156584249) is 1-[4-[(1-methylpyrazol-4-yl)methylamino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone.
What is the SMILES notation for 1-[4-[(1-methylpyrazol-4-yl)methylamino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone?
The canonical SMILES for 1-[4-[(1-methylpyrazol-4-yl)methylamino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone is CC(=O)N1CCCC2(CCc3c(NCc4cnn(C)c4)nc(-c4cccnc4)nc32)C1.
What is the InChIKey of 1-[4-[(1-methylpyrazol-4-yl)methylamino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone?
The InChIKey is MRRSNTMGVBFEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-16(31)30-10-4-7-23(15-30)8-6-19-20(23)27-21(18-5-3-9-24-13-18)28-22(19)25-11-17-12-26-29(2)14-17/h3,5,9,12-14H,4,6-8,10-11,15H2,1-2H3,(H,25,27,28).
What are the key properties of 1-[4-[(1-methylpyrazol-4-yl)methylamino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone?
1-[4-[(1-methylpyrazol-4-yl)methylamino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone has a molecular weight of 417.52 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-methylpyrazol-4-yl)methylamino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone is sourced from PubChem (CID 156584249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).