[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone

C20H25N5O3 — CID 91921948

IUPAC[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCC3(CC2)CN(c2ncccn2)CC3CO)cn1
InChIInChI=1S/C20H25N5O3/c1-28-17-4-3-15(11-23-17)18(27)24-9-5-20(6-10-24)14-25(12-16(20)13-26)19-21-7-2-8-22-19/h2-4,7-8,11,16,26H,5-6,9-10,12-14H2,1H3
InChIKeyBAZZDNMHCNUMJA-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.23
Rot. Bonds4

About [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone

[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone (PubChem CID 91921948) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone
PubChem CID91921948
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCC3(CC2)CN(c2ncccn2)CC3CO)cn1
InChIInChI=1S/C20H25N5O3/c1-28-17-4-3-15(11-23-17)18(27)24-9-5-20(6-10-24)14-25(12-16(20)13-26)19-21-7-2-8-22-19/h2-4,7-8,11,16,26H,5-6,9-10,12-14H2,1H3
InChIKeyBAZZDNMHCNUMJA-UHFFFAOYSA-N
XLogP1.23
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone?
The IUPAC name of [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone (CID 91921948) is [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone is COc1ccc(C(=O)N2CCC3(CC2)CN(c2ncccn2)CC3CO)cn1.
What is the InChIKey of [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone?
The InChIKey is BAZZDNMHCNUMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-28-17-4-3-15(11-23-17)18(27)24-9-5-20(6-10-24)14-25(12-16(20)13-26)19-21-7-2-8-22-19/h2-4,7-8,11,16,26H,5-6,9-10,12-14H2,1H3.
What are the key properties of [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone?
[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone has a molecular weight of 383.45 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 91921948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).