6-methyl-5-[[2-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine

C19H22N6O — CID 146421045

IUPAC6-methyl-5-[[2-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine
SMILESCc1nc(N)ccc1Oc1ccnc(-c2cnn(C3CCN(C)C3)c2)c1
InChIInChI=1S/C19H22N6O/c1-13-18(3-4-19(20)23-13)26-16-5-7-21-17(9-16)14-10-22-25(11-14)15-6-8-24(2)12-15/h3-5,7,9-11,15H,6,8,12H2,1-2H3,(H2,20,23)
InChIKeyOTUIAKNUMOCAHS-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.90
Rot. Bonds4

About 6-methyl-5-[[2-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine

6-methyl-5-[[2-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine (PubChem CID 146421045) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 6-methyl-5-[[2-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-5-[[2-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine
PubChem CID146421045
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name6-methyl-5-[[2-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine
SMILESCc1nc(N)ccc1Oc1ccnc(-c2cnn(C3CCN(C)C3)c2)c1
InChIInChI=1S/C19H22N6O/c1-13-18(3-4-19(20)23-13)26-16-5-7-21-17(9-16)14-10-22-25(11-14)15-6-8-24(2)12-15/h3-5,7,9-11,15H,6,8,12H2,1-2H3,(H2,20,23)
InChIKeyOTUIAKNUMOCAHS-UHFFFAOYSA-N
XLogP2.90
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[[2-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine?
The IUPAC name of 6-methyl-5-[[2-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine (CID 146421045) is 6-methyl-5-[[2-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine.
What is the SMILES notation for 6-methyl-5-[[2-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine?
The canonical SMILES for 6-methyl-5-[[2-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine is Cc1nc(N)ccc1Oc1ccnc(-c2cnn(C3CCN(C)C3)c2)c1.
What is the InChIKey of 6-methyl-5-[[2-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine?
The InChIKey is OTUIAKNUMOCAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13-18(3-4-19(20)23-13)26-16-5-7-21-17(9-16)14-10-22-25(11-14)15-6-8-24(2)12-15/h3-5,7,9-11,15H,6,8,12H2,1-2H3,(H2,20,23).
What are the key properties of 6-methyl-5-[[2-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine?
6-methyl-5-[[2-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine has a molecular weight of 350.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[[2-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine is sourced from PubChem (CID 146421045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).