5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

C23H23N7O2 — CID 86267611

IUPAC5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cnc(N3CCCC3)[nH]c2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C23H23N7O2/c1-15-21(32-17-7-8-24-20(11-17)16-12-26-29(2)14-16)6-5-19(27-15)18-13-25-23(28-22(18)31)30-9-3-4-10-30/h5-8,11-14H,3-4,9-10H2,1-2H3,(H,25,28,31)
InChIKeyGZEZKJFDRQXFTI-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.33
Rot. Bonds5

About 5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 86267611) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID86267611
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cnc(N3CCCC3)[nH]c2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C23H23N7O2/c1-15-21(32-17-7-8-24-20(11-17)16-12-26-29(2)14-16)6-5-19(27-15)18-13-25-23(28-22(18)31)30-9-3-4-10-30/h5-8,11-14H,3-4,9-10H2,1-2H3,(H,25,28,31)
InChIKeyGZEZKJFDRQXFTI-UHFFFAOYSA-N
XLogP3.33
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

Vimseltinib
CID 86267612
2,2-dimethyl-N-[(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)carbamoyl]propanamide
CID 86270079
Pimicotinib
CID 139549388
2-(4-fluorophenyl)-N-[[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide
CID 46208889
2-(4-fluorophenyl)-N-[[4-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide
CID 67400337
2-(isopropylamino)-5-(6-methyl-5-((2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl)oxy)pyridin-2-yl)pyrimidin-4(3H)-one
CID 86267405
2-(ethylamino)-5-(6-methyl-5-((6'-methyl-[2,3'-bipyridin]-4-yl)oxy)pyridin-2-yl)pyrimidin-4(3H)-one
CID 86267406
5-(6-methyl-5-((2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl)oxy)pyridin-2-yl)-2-(methylamino)pyrimidin-4(3H)-one
CID 86267409
2-(ethylamino)-5-(5-((2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl)oxy)pyridin-2-yl)pyrimidin-4(3H)-one
CID 86267410
N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
CID 86267433
5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 86267614
5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 86267615

Frequently Asked Questions

What is the IUPAC name of 5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 86267611) is 5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is Cc1nc(-c2cnc(N3CCCC3)[nH]c2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1.
What is the InChIKey of 5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is GZEZKJFDRQXFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-15-21(32-17-7-8-24-20(11-17)16-12-26-29(2)14-16)6-5-19(27-15)18-13-25-23(28-22(18)31)30-9-3-4-10-30/h5-8,11-14H,3-4,9-10H2,1-2H3,(H,25,28,31).
What are the key properties of 5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 429.48 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 86267611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).