N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C19H17N5O3 — CID 32599687

IUPACN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C19H17N5O3/c1-9-7-12(15-16(20-9)24(2)23-18(15)26)17(25)21-11-5-6-14-13(8-11)22-19(27-14)10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyUDKSUSDDXKOZCL-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.84
Rot. Bonds3

About N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 32599687) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID32599687
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C19H17N5O3/c1-9-7-12(15-16(20-9)24(2)23-18(15)26)17(25)21-11-5-6-14-13(8-11)22-19(27-14)10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyUDKSUSDDXKOZCL-UHFFFAOYSA-N
XLogP2.84
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 32599687) is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c2c(=O)[nH]n(C)c2n1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is UDKSUSDDXKOZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-9-7-12(15-16(20-9)24(2)23-18(15)26)17(25)21-11-5-6-14-13(8-11)22-19(27-14)10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H,21,25)(H,23,26).
What are the key properties of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 32599687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).