1-[(4R)-4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-pyrazol-1-ylpropan-1-one

C19H26N6O2 — CID 99766134

IUPAC1-[(4R)-4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-pyrazol-1-ylpropan-1-one
SMILESO=C(CCn1cccn1)N1CCC2(CC1)CN(c1ccncn1)C[C@@H]2CO
InChIInChI=1S/C19H26N6O2/c26-13-16-12-24(17-2-7-20-15-21-17)14-19(16)4-10-23(11-5-19)18(27)3-9-25-8-1-6-22-25/h1-2,6-8,15-16,26H,3-5,9-14H2/t16-/m1/s1
InChIKeyPDSXHXNGDXXRFX-MRXNPFEDSA-N
MW370.46 g/mol
LogP0.80
Rot. Bonds5

About 1-[(4R)-4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-pyrazol-1-ylpropan-1-one

1-[(4R)-4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-pyrazol-1-ylpropan-1-one (PubChem CID 99766134) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[(4R)-4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[(4R)-4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-pyrazol-1-ylpropan-1-one
PubChem CID99766134
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name1-[(4R)-4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-pyrazol-1-ylpropan-1-one
SMILESO=C(CCn1cccn1)N1CCC2(CC1)CN(c1ccncn1)C[C@@H]2CO
InChIInChI=1S/C19H26N6O2/c26-13-16-12-24(17-2-7-20-15-21-17)14-19(16)4-10-23(11-5-19)18(27)3-9-25-8-1-6-22-25/h1-2,6-8,15-16,26H,3-5,9-14H2/t16-/m1/s1
InChIKeyPDSXHXNGDXXRFX-MRXNPFEDSA-N
XLogP0.80
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-[(4R)-4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-pyrazol-1-ylpropan-1-one (CID 99766134) is 1-[(4R)-4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[(4R)-4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-[(4R)-4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-pyrazol-1-ylpropan-1-one is O=C(CCn1cccn1)N1CCC2(CC1)CN(c1ccncn1)C[C@@H]2CO.
What is the InChIKey of 1-[(4R)-4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-pyrazol-1-ylpropan-1-one?
The InChIKey is PDSXHXNGDXXRFX-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N6O2/c26-13-16-12-24(17-2-7-20-15-21-17)14-19(16)4-10-23(11-5-19)18(27)3-9-25-8-1-6-22-25/h1-2,6-8,15-16,26H,3-5,9-14H2/t16-/m1/s1.
What are the key properties of 1-[(4R)-4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-pyrazol-1-ylpropan-1-one?
1-[(4R)-4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-pyrazol-1-ylpropan-1-one has a molecular weight of 370.46 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 99766134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).