6-cyclopropyl-3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H26N6O3 — CID 134802056

IUPAC6-cyclopropyl-3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(C2CC2)nc2c1c(C1CCCN1C(=O)c1c(C)noc1C)nn2C
InChIInChI=1S/C22H26N6O3/c1-11-17(12(2)31-26-11)22(30)28-9-5-6-16(28)19-18-14(21(29)23-3)10-15(13-7-8-13)24-20(18)27(4)25-19/h10,13,16H,5-9H2,1-4H3,(H,23,29)
InChIKeySCYAVTHIHRLQFT-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.79
Rot. Bonds4

About 6-cyclopropyl-3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134802056) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 6-cyclopropyl-3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134802056
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name6-cyclopropyl-3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(C2CC2)nc2c1c(C1CCCN1C(=O)c1c(C)noc1C)nn2C
InChIInChI=1S/C22H26N6O3/c1-11-17(12(2)31-26-11)22(30)28-9-5-6-16(28)19-18-14(21(29)23-3)10-15(13-7-8-13)24-20(18)27(4)25-19/h10,13,16H,5-9H2,1-4H3,(H,23,29)
InChIKeySCYAVTHIHRLQFT-UHFFFAOYSA-N
XLogP2.79
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134802056) is 6-cyclopropyl-3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is CNC(=O)c1cc(C2CC2)nc2c1c(C1CCCN1C(=O)c1c(C)noc1C)nn2C.
What is the InChIKey of 6-cyclopropyl-3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SCYAVTHIHRLQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-11-17(12(2)31-26-11)22(30)28-9-5-6-16(28)19-18-14(21(29)23-3)10-15(13-7-8-13)24-20(18)27(4)25-19/h10,13,16H,5-9H2,1-4H3,(H,23,29).
What are the key properties of 6-cyclopropyl-3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-N,1-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134802056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).