1-[2-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]hept-5-ene-1,4-dione

C27H35N7O3 — CID 67054564

IUPAC1-[2-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]hept-5-ene-1,4-dione
SMILESCC=CC(=O)CCC(=O)N1CCC2(CC1)CN(c1cc(-c3cnc(N)nc3)nc(N3CCOCC3)c1)C2
InChIInChI=1S/C27H35N7O3/c1-2-3-22(35)4-5-25(36)33-8-6-27(7-9-33)18-34(19-27)21-14-23(20-16-29-26(28)30-17-20)31-24(15-21)32-10-12-37-13-11-32/h2-3,14-17H,4-13,18-19H2,1H3,(H2,28,29,30)
InChIKeyLCQUCUWFTMUKIS-UHFFFAOYSA-N
MW505.62 g/mol
LogP2.31
Rot. Bonds7

About 1-[2-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]hept-5-ene-1,4-dione

1-[2-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]hept-5-ene-1,4-dione (PubChem CID 67054564) has the molecular formula C27H35N7O3 and a molecular weight of 505.62 g/mol. Its IUPAC name is 1-[2-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]hept-5-ene-1,4-dione.

Molecular Properties

Compound Name1-[2-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]hept-5-ene-1,4-dione
PubChem CID67054564
Molecular FormulaC27H35N7O3
Molecular Weight505.62 g/mol
Exact Mass505.28
IUPAC Name1-[2-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]hept-5-ene-1,4-dione
SMILESCC=CC(=O)CCC(=O)N1CCC2(CC1)CN(c1cc(-c3cnc(N)nc3)nc(N3CCOCC3)c1)C2
InChIInChI=1S/C27H35N7O3/c1-2-3-22(35)4-5-25(36)33-8-6-27(7-9-33)18-34(19-27)21-14-23(20-16-29-26(28)30-17-20)31-24(15-21)32-10-12-37-13-11-32/h2-3,14-17H,4-13,18-19H2,1H3,(H2,28,29,30)
InChIKeyLCQUCUWFTMUKIS-UHFFFAOYSA-N
XLogP2.31
TPSA117.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.62
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[2-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]hept-5-ene-1,4-dione with MolForge

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Related Compounds

(E)-1-[4-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]hept-5-ene-1,4-dione
CID 58441452
(Z)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]phenyl]-3,4-dimethylpent-2-enamide
CID 70848196
(Z)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]phenyl]-4-methyl-5-[[5-[4-[4-[2-[4-[[(E)-4-methyl-3-(trifluoromethyl)pent-2-enoyl]amino]phenyl]acetyl]piperazin-1-yl]-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-yl]amino]-3-(trifluoromethyl)pent-2-enamide
CID 147590073
4-[4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carbaldehyde;(E)-1-(4-methylpiperidin-1-yl)hept-5-ene-1,4-dione
CID 165402065
5-(6-morpholin-4-yl-4-phenoxy-2-pyridinyl)pyrimidin-2-amine
CID 146173263
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 144988717
1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidin-4-ol
CID 68870383
5-[4-(4-chloro-3-methylphenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine
CID 157319144
N-[4-[2-[4-[2-(2-iodopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide
CID 88966425
5-[6-morpholin-4-yl-2-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine
CID 59198406
N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]phenyl]-4-methyl-3-(trifluoromethyl)pent-2-enamide
CID 77137226
2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylacetamide
CID 42613361

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]hept-5-ene-1,4-dione?
The IUPAC name of 1-[2-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]hept-5-ene-1,4-dione (CID 67054564) is 1-[2-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]hept-5-ene-1,4-dione.
What is the SMILES notation for 1-[2-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]hept-5-ene-1,4-dione?
The canonical SMILES for 1-[2-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]hept-5-ene-1,4-dione is CC=CC(=O)CCC(=O)N1CCC2(CC1)CN(c1cc(-c3cnc(N)nc3)nc(N3CCOCC3)c1)C2.
What is the InChIKey of 1-[2-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]hept-5-ene-1,4-dione?
The InChIKey is LCQUCUWFTMUKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O3/c1-2-3-22(35)4-5-25(36)33-8-6-27(7-9-33)18-34(19-27)21-14-23(20-16-29-26(28)30-17-20)31-24(15-21)32-10-12-37-13-11-32/h2-3,14-17H,4-13,18-19H2,1H3,(H2,28,29,30).
What are the key properties of 1-[2-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]hept-5-ene-1,4-dione?
1-[2-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]hept-5-ene-1,4-dione has a molecular weight of 505.62 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]hept-5-ene-1,4-dione is sourced from PubChem (CID 67054564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).