N-(3,3-difluorocyclobutyl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide

C19H16F2N6O2 — CID 134190237

IUPACN-(3,3-difluorocyclobutyl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide
SMILESO=C(Cc1noc2cc(Nc3n[nH]c4cccnc34)ccc12)NC1CC(F)(F)C1
InChIInChI=1S/C19H16F2N6O2/c20-19(21)8-11(9-19)23-16(28)7-14-12-4-3-10(6-15(12)29-27-14)24-18-17-13(25-26-18)2-1-5-22-17/h1-6,11H,7-9H2,(H,23,28)(H2,24,25,26)
InChIKeyUVHFSLUVUCPCRX-UHFFFAOYSA-N
MW398.37 g/mol
LogP3.30
Rot. Bonds5

About N-(3,3-difluorocyclobutyl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide

N-(3,3-difluorocyclobutyl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide (PubChem CID 134190237) has the molecular formula C19H16F2N6O2 and a molecular weight of 398.37 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide
PubChem CID134190237
Molecular FormulaC19H16F2N6O2
Molecular Weight398.37 g/mol
Exact Mass398.13
IUPAC NameN-(3,3-difluorocyclobutyl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide
SMILESO=C(Cc1noc2cc(Nc3n[nH]c4cccnc34)ccc12)NC1CC(F)(F)C1
InChIInChI=1S/C19H16F2N6O2/c20-19(21)8-11(9-19)23-16(28)7-14-12-4-3-10(6-15(12)29-27-14)24-18-17-13(25-26-18)2-1-5-22-17/h1-6,11H,7-9H2,(H,23,28)(H2,24,25,26)
InChIKeyUVHFSLUVUCPCRX-UHFFFAOYSA-N
XLogP3.30
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide (CID 134190237) is N-(3,3-difluorocyclobutyl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide is O=C(Cc1noc2cc(Nc3n[nH]c4cccnc34)ccc12)NC1CC(F)(F)C1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide?
The InChIKey is UVHFSLUVUCPCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O2/c20-19(21)8-11(9-19)23-16(28)7-14-12-4-3-10(6-15(12)29-27-14)24-18-17-13(25-26-18)2-1-5-22-17/h1-6,11H,7-9H2,(H,23,28)(H2,24,25,26).
What are the key properties of N-(3,3-difluorocyclobutyl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide?
N-(3,3-difluorocyclobutyl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide has a molecular weight of 398.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]acetamide is sourced from PubChem (CID 134190237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).