[3-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-5-methyl-1,2-oxazol-3-yl]oxy]cyclobutyl]carbamic acid

C20H21N5O5 — CID 174155353

IUPAC[3-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-5-methyl-1,2-oxazol-3-yl]oxy]cyclobutyl]carbamic acid
SMILESCc1onc(OC2CC(NC(=O)O)C2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
InChIInChI=1S/C20H21N5O5/c1-10-17(19(24-30-10)29-15-7-13(8-15)21-20(27)28)12-4-5-25-14(6-12)9-16(23-25)22-18(26)11-2-3-11/h4-6,9,11,13,15,21H,2-3,7-8H2,1H3,(H,27,28)(H,22,23,26)
InChIKeyMBEDONKGUSCPCC-UHFFFAOYSA-N
MW411.42 g/mol
LogP2.82
Rot. Bonds6

About [3-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-5-methyl-1,2-oxazol-3-yl]oxy]cyclobutyl]carbamic acid

[3-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-5-methyl-1,2-oxazol-3-yl]oxy]cyclobutyl]carbamic acid (PubChem CID 174155353) has the molecular formula C20H21N5O5 and a molecular weight of 411.42 g/mol. Its IUPAC name is [3-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-5-methyl-1,2-oxazol-3-yl]oxy]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[3-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-5-methyl-1,2-oxazol-3-yl]oxy]cyclobutyl]carbamic acid
PubChem CID174155353
Molecular FormulaC20H21N5O5
Molecular Weight411.42 g/mol
Exact Mass411.15
IUPAC Name[3-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-5-methyl-1,2-oxazol-3-yl]oxy]cyclobutyl]carbamic acid
SMILESCc1onc(OC2CC(NC(=O)O)C2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
InChIInChI=1S/C20H21N5O5/c1-10-17(19(24-30-10)29-15-7-13(8-15)21-20(27)28)12-4-5-25-14(6-12)9-16(23-25)22-18(26)11-2-3-11/h4-6,9,11,13,15,21H,2-3,7-8H2,1H3,(H,27,28)(H,22,23,26)
InChIKeyMBEDONKGUSCPCC-UHFFFAOYSA-N
XLogP2.82
TPSA130.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-5-methyl-1,2-oxazol-3-yl]oxy]cyclobutyl]carbamic acid?
The IUPAC name of [3-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-5-methyl-1,2-oxazol-3-yl]oxy]cyclobutyl]carbamic acid (CID 174155353) is [3-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-5-methyl-1,2-oxazol-3-yl]oxy]cyclobutyl]carbamic acid.
What is the SMILES notation for [3-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-5-methyl-1,2-oxazol-3-yl]oxy]cyclobutyl]carbamic acid?
The canonical SMILES for [3-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-5-methyl-1,2-oxazol-3-yl]oxy]cyclobutyl]carbamic acid is Cc1onc(OC2CC(NC(=O)O)C2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1.
What is the InChIKey of [3-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-5-methyl-1,2-oxazol-3-yl]oxy]cyclobutyl]carbamic acid?
The InChIKey is MBEDONKGUSCPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O5/c1-10-17(19(24-30-10)29-15-7-13(8-15)21-20(27)28)12-4-5-25-14(6-12)9-16(23-25)22-18(26)11-2-3-11/h4-6,9,11,13,15,21H,2-3,7-8H2,1H3,(H,27,28)(H,22,23,26).
What are the key properties of [3-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-5-methyl-1,2-oxazol-3-yl]oxy]cyclobutyl]carbamic acid?
[3-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-5-methyl-1,2-oxazol-3-yl]oxy]cyclobutyl]carbamic acid has a molecular weight of 411.42 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-[2-(cyclopropanecarbonylamino)pyrazolo[1,5-a]pyridin-5-yl]-5-methyl-1,2-oxazol-3-yl]oxy]cyclobutyl]carbamic acid is sourced from PubChem (CID 174155353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).