N-[5-[[2-(1-cyclopropylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-hydroxy-3,3-dimethylpyrrolidine-1-carboxamide

C24H28N6O3 — CID 146432965

IUPACN-[5-[[2-(1-cyclopropylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-hydroxy-3,3-dimethylpyrrolidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCC(C)(C)C2O)ccc1Oc1ccnc(-c2cnn(C3CC3)c2)c1
InChIInChI=1S/C24H28N6O3/c1-15-20(6-7-21(27-15)28-23(32)29-11-9-24(2,3)22(29)31)33-18-8-10-25-19(12-18)16-13-26-30(14-16)17-4-5-17/h6-8,10,12-14,17,22,31H,4-5,9,11H2,1-3H3,(H,27,28,32)
InChIKeyPLGAAGMDSVBTLZ-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.36
Rot. Bonds5

About N-[5-[[2-(1-cyclopropylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-hydroxy-3,3-dimethylpyrrolidine-1-carboxamide

N-[5-[[2-(1-cyclopropylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-hydroxy-3,3-dimethylpyrrolidine-1-carboxamide (PubChem CID 146432965) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[5-[[2-(1-cyclopropylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-hydroxy-3,3-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(1-cyclopropylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-hydroxy-3,3-dimethylpyrrolidine-1-carboxamide
PubChem CID146432965
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC NameN-[5-[[2-(1-cyclopropylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-hydroxy-3,3-dimethylpyrrolidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCC(C)(C)C2O)ccc1Oc1ccnc(-c2cnn(C3CC3)c2)c1
InChIInChI=1S/C24H28N6O3/c1-15-20(6-7-21(27-15)28-23(32)29-11-9-24(2,3)22(29)31)33-18-8-10-25-19(12-18)16-13-26-30(14-16)17-4-5-17/h6-8,10,12-14,17,22,31H,4-5,9,11H2,1-3H3,(H,27,28,32)
InChIKeyPLGAAGMDSVBTLZ-UHFFFAOYSA-N
XLogP4.36
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(1-cyclopropylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-hydroxy-3,3-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of N-[5-[[2-(1-cyclopropylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-hydroxy-3,3-dimethylpyrrolidine-1-carboxamide (CID 146432965) is N-[5-[[2-(1-cyclopropylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-hydroxy-3,3-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[5-[[2-(1-cyclopropylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-hydroxy-3,3-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[5-[[2-(1-cyclopropylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-hydroxy-3,3-dimethylpyrrolidine-1-carboxamide is Cc1nc(NC(=O)N2CCC(C)(C)C2O)ccc1Oc1ccnc(-c2cnn(C3CC3)c2)c1.
What is the InChIKey of N-[5-[[2-(1-cyclopropylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-hydroxy-3,3-dimethylpyrrolidine-1-carboxamide?
The InChIKey is PLGAAGMDSVBTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-15-20(6-7-21(27-15)28-23(32)29-11-9-24(2,3)22(29)31)33-18-8-10-25-19(12-18)16-13-26-30(14-16)17-4-5-17/h6-8,10,12-14,17,22,31H,4-5,9,11H2,1-3H3,(H,27,28,32).
What are the key properties of N-[5-[[2-(1-cyclopropylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-hydroxy-3,3-dimethylpyrrolidine-1-carboxamide?
N-[5-[[2-(1-cyclopropylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-hydroxy-3,3-dimethylpyrrolidine-1-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(1-cyclopropylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-2-hydroxy-3,3-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 146432965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).