[(3R,5R)-3-[methyl(pyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1-methylpyrrol-2-yl)methanone

C18H23N5O2 — CID 97486705

IUPAC[(3R,5R)-3-[methyl(pyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCN(c1ncccn1)[C@H]1CO[C@]2(CCN(C(=O)c3cccn3C)C2)C1
InChIInChI=1S/C18H23N5O2/c1-21-9-3-5-15(21)16(24)23-10-6-18(13-23)11-14(12-25-18)22(2)17-19-7-4-8-20-17/h3-5,7-9,14H,6,10-13H2,1-2H3/t14-,18-/m1/s1
InChIKeyPPWZSWMCJIDPDY-RDTXWAMCSA-N
MW341.41 g/mol
LogP1.33
Rot. Bonds3

About [(3R,5R)-3-[methyl(pyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1-methylpyrrol-2-yl)methanone

[(3R,5R)-3-[methyl(pyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 97486705) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is [(3R,5R)-3-[methyl(pyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(3R,5R)-3-[methyl(pyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID97486705
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name[(3R,5R)-3-[methyl(pyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCN(c1ncccn1)[C@H]1CO[C@]2(CCN(C(=O)c3cccn3C)C2)C1
InChIInChI=1S/C18H23N5O2/c1-21-9-3-5-15(21)16(24)23-10-6-18(13-23)11-14(12-25-18)22(2)17-19-7-4-8-20-17/h3-5,7-9,14H,6,10-13H2,1-2H3/t14-,18-/m1/s1
InChIKeyPPWZSWMCJIDPDY-RDTXWAMCSA-N
XLogP1.33
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R,5R)-3-[methyl(pyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1-methylpyrrol-2-yl)methanone with MolForge

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Related Compounds

[(3R,5R)-3-[methyl(pyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone
CID 97486693
(3R,5R)-3-[methyl(pyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97486737
(3S,5S)-3-[methyl(pyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97486729
[(3S)-3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrrol-2-yl)methanone
CID 97450634
(1-methylpyrrol-2-yl)-[(3R,5S)-3-phenyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97395253
N-methyl-7-[(1-methylimidazol-2-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131662354
1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110131133
[3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-pyrrol-2-yl)methanone
CID 134074887
[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 124958394
(1-methylpyrrol-2-yl)-[(3S)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97385582
(1-methylpyrrol-2-yl)-[(3R)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97395044
[3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone
CID 134074886

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3-[methyl(pyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [(3R,5R)-3-[methyl(pyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1-methylpyrrol-2-yl)methanone (CID 97486705) is [(3R,5R)-3-[methyl(pyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [(3R,5R)-3-[methyl(pyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [(3R,5R)-3-[methyl(pyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1-methylpyrrol-2-yl)methanone is CN(c1ncccn1)[C@H]1CO[C@]2(CCN(C(=O)c3cccn3C)C2)C1.
What is the InChIKey of [(3R,5R)-3-[methyl(pyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is PPWZSWMCJIDPDY-RDTXWAMCSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-21-9-3-5-15(21)16(24)23-10-6-18(13-23)11-14(12-25-18)22(2)17-19-7-4-8-20-17/h3-5,7-9,14H,6,10-13H2,1-2H3/t14-,18-/m1/s1.
What are the key properties of [(3R,5R)-3-[methyl(pyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1-methylpyrrol-2-yl)methanone?
[(3R,5R)-3-[methyl(pyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 341.41 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3-[methyl(pyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 97486705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).