[2-(2-propanoyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)oxan-4-yl]carbamic acid

C19H25N5O4 — CID 71074210

IUPAC[2-(2-propanoyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)oxan-4-yl]carbamic acid
SMILESCCC(=O)c1cc2nc(N3CCCC3)cc(C3CC(NC(=O)O)CCO3)n2n1
InChIInChI=1S/C19H25N5O4/c1-2-15(25)13-10-18-21-17(23-6-3-4-7-23)11-14(24(18)22-13)16-9-12(5-8-28-16)20-19(26)27/h10-12,16,20H,2-9H2,1H3,(H,26,27)
InChIKeyUIFDIYMYMHQHCN-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.41
Rot. Bonds5

About [2-(2-propanoyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)oxan-4-yl]carbamic acid

[2-(2-propanoyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)oxan-4-yl]carbamic acid (PubChem CID 71074210) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is [2-(2-propanoyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)oxan-4-yl]carbamic acid.

Molecular Properties

Compound Name[2-(2-propanoyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)oxan-4-yl]carbamic acid
PubChem CID71074210
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Name[2-(2-propanoyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)oxan-4-yl]carbamic acid
SMILESCCC(=O)c1cc2nc(N3CCCC3)cc(C3CC(NC(=O)O)CCO3)n2n1
InChIInChI=1S/C19H25N5O4/c1-2-15(25)13-10-18-21-17(23-6-3-4-7-23)11-14(24(18)22-13)16-9-12(5-8-28-16)20-19(26)27/h10-12,16,20H,2-9H2,1H3,(H,26,27)
InChIKeyUIFDIYMYMHQHCN-UHFFFAOYSA-N
XLogP2.41
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(2S)-butan-2-yl]-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1,2-oxazole-5-carboxamide
CID 129329403
(2-ethylpiperidin-1-yl)-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109365400
5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide
CID 128992160
(3R)-1-(azepan-1-yl)-3-[[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]amino]butan-1-one
CID 129331363
[1-(2-butyl-6-methylpyrimidin-4-yl)piperidin-4-yl]carbamic acid
CID 68579922
1-(2-methyl-6-piperidin-1-yl-3-pyridinyl)propan-1-one
CID 102546217
4-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-3-carboxamide
CID 128966423
1-methyl-4-[[2-(3-methyl-6-propylpyrazin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol
CID 71099864
1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea
CID 129476958
tert-butyl 2-[5-(azetidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carboxylate
CID 76667892
cyclopropyl-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 122351619
3-[2-[(2S)-1-(cyclopropanecarbonyl)piperidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-cyclopropylpropanamide
CID 125003838

Frequently Asked Questions

What is the IUPAC name of [2-(2-propanoyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)oxan-4-yl]carbamic acid?
The IUPAC name of [2-(2-propanoyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)oxan-4-yl]carbamic acid (CID 71074210) is [2-(2-propanoyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)oxan-4-yl]carbamic acid.
What is the SMILES notation for [2-(2-propanoyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)oxan-4-yl]carbamic acid?
The canonical SMILES for [2-(2-propanoyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)oxan-4-yl]carbamic acid is CCC(=O)c1cc2nc(N3CCCC3)cc(C3CC(NC(=O)O)CCO3)n2n1.
What is the InChIKey of [2-(2-propanoyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)oxan-4-yl]carbamic acid?
The InChIKey is UIFDIYMYMHQHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-2-15(25)13-10-18-21-17(23-6-3-4-7-23)11-14(24(18)22-13)16-9-12(5-8-28-16)20-19(26)27/h10-12,16,20H,2-9H2,1H3,(H,26,27).
What are the key properties of [2-(2-propanoyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)oxan-4-yl]carbamic acid?
[2-(2-propanoyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)oxan-4-yl]carbamic acid has a molecular weight of 387.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-propanoyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)oxan-4-yl]carbamic acid is sourced from PubChem (CID 71074210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).