1-(1,2-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide

C16H18N4O3S — CID 91816996

IUPAC1-(1,2-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)NCc1cnn2c1CCCC2
InChIInChI=1S/C16H18N4O3S/c21-24(22,11-14-13-5-1-2-7-16(13)23-19-14)18-10-12-9-17-20-8-4-3-6-15(12)20/h1-2,5,7,9,18H,3-4,6,8,10-11H2
InChIKeyKKFKILIXKFCVEY-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.98
Rot. Bonds5

About 1-(1,2-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide (PubChem CID 91816996) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide
PubChem CID91816996
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)NCc1cnn2c1CCCC2
InChIInChI=1S/C16H18N4O3S/c21-24(22,11-14-13-5-1-2-7-16(13)23-19-14)18-10-12-9-17-20-8-4-3-6-15(12)20/h1-2,5,7,9,18H,3-4,6,8,10-11H2
InChIKeyKKFKILIXKFCVEY-UHFFFAOYSA-N
XLogP1.98
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide (CID 91816996) is 1-(1,2-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide is O=S(=O)(Cc1noc2ccccc12)NCc1cnn2c1CCCC2.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide?
The InChIKey is KKFKILIXKFCVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c21-24(22,11-14-13-5-1-2-7-16(13)23-19-14)18-10-12-9-17-20-8-4-3-6-15(12)20/h1-2,5,7,9,18H,3-4,6,8,10-11H2.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 91816996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).