1-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-[(3S)-1-oxaspiro[4.5]decan-3-yl]urea

C19H25N5O2 — CID 125176825

IUPAC1-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-[(3S)-1-oxaspiro[4.5]decan-3-yl]urea
SMILESCn1nc(-c2ccccn2)cc1NC(=O)N[C@@H]1COC2(CCCCC2)C1
InChIInChI=1S/C19H25N5O2/c1-24-17(11-16(23-24)15-7-3-6-10-20-15)22-18(25)21-14-12-19(26-13-14)8-4-2-5-9-19/h3,6-7,10-11,14H,2,4-5,8-9,12-13H2,1H3,(H2,21,22,25)/t14-/m0/s1
InChIKeyPWABOKSBMRSFNR-AWEZNQCLSA-N
MW355.44 g/mol
LogP3.10
Rot. Bonds3

About 1-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-[(3S)-1-oxaspiro[4.5]decan-3-yl]urea

1-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-[(3S)-1-oxaspiro[4.5]decan-3-yl]urea (PubChem CID 125176825) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-[(3S)-1-oxaspiro[4.5]decan-3-yl]urea.

Molecular Properties

Compound Name1-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-[(3S)-1-oxaspiro[4.5]decan-3-yl]urea
PubChem CID125176825
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-[(3S)-1-oxaspiro[4.5]decan-3-yl]urea
SMILESCn1nc(-c2ccccn2)cc1NC(=O)N[C@@H]1COC2(CCCCC2)C1
InChIInChI=1S/C19H25N5O2/c1-24-17(11-16(23-24)15-7-3-6-10-20-15)22-18(25)21-14-12-19(26-13-14)8-4-2-5-9-19/h3,6-7,10-11,14H,2,4-5,8-9,12-13H2,1H3,(H2,21,22,25)/t14-/m0/s1
InChIKeyPWABOKSBMRSFNR-AWEZNQCLSA-N
XLogP3.10
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-oxaspiro[4.5]decan-3-yl)-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
CID 70752204
1-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(3R)-1-oxaspiro[4.5]decan-3-yl]urea
CID 125165960
1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[(3S)-1-oxaspiro[4.4]nonan-3-yl]urea
CID 97437963
1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[(3R)-1-oxaspiro[4.4]nonan-3-yl]urea
CID 97437962
1-[(3S)-1-oxaspiro[4.4]nonan-3-yl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 97437563
1-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 97437562
N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 125155043
1-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-[3-(1,3-oxazol-5-yl)phenyl]urea
CID 125163661
1-(1,3-benzodioxol-5-yl)-3-[(3S)-1-oxaspiro[4.5]decan-3-yl]urea
CID 125161745
1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea
CID 72930844
1-[2-(2-ethoxyethoxy)phenyl]-3-[(3S)-1-oxaspiro[4.4]nonan-3-yl]urea
CID 97434869
N-(1-oxaspiro[4.5]decan-3-yl)pyridine-4-carboxamide
CID 91767897

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-[(3S)-1-oxaspiro[4.5]decan-3-yl]urea?
The IUPAC name of 1-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-[(3S)-1-oxaspiro[4.5]decan-3-yl]urea (CID 125176825) is 1-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-[(3S)-1-oxaspiro[4.5]decan-3-yl]urea.
What is the SMILES notation for 1-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-[(3S)-1-oxaspiro[4.5]decan-3-yl]urea?
The canonical SMILES for 1-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-[(3S)-1-oxaspiro[4.5]decan-3-yl]urea is Cn1nc(-c2ccccn2)cc1NC(=O)N[C@@H]1COC2(CCCCC2)C1.
What is the InChIKey of 1-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-[(3S)-1-oxaspiro[4.5]decan-3-yl]urea?
The InChIKey is PWABOKSBMRSFNR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-24-17(11-16(23-24)15-7-3-6-10-20-15)22-18(25)21-14-12-19(26-13-14)8-4-2-5-9-19/h3,6-7,10-11,14H,2,4-5,8-9,12-13H2,1H3,(H2,21,22,25)/t14-/m0/s1.
What are the key properties of 1-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-[(3S)-1-oxaspiro[4.5]decan-3-yl]urea?
1-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-[(3S)-1-oxaspiro[4.5]decan-3-yl]urea has a molecular weight of 355.44 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-3-[(3S)-1-oxaspiro[4.5]decan-3-yl]urea is sourced from PubChem (CID 125176825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).