Vimseltinib

C23H25N7O2 — CID 86267612

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IUPAC3-methyl-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-(propan-2-ylamino)pyrimidin-4-one
SMILESCc1nc(-c2cnc(NC(C)C)n(C)c2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C23H25N7O2/c1-14(2)27-23-25-12-18(22(31)30(23)5)19-6-7-21(15(3)28-19)32-17-8-9-24-20(10-17)16-11-26-29(4)13-16/h6-14H,1-5H3,(H,25,27)
InChIKeyTVGAHWWPABTBCX-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.56
Rot. Bonds6

About Vimseltinib

Vimseltinib (PubChem CID 86267612) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 3-methyl-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-(propan-2-ylamino)pyrimidin-4-one.

Molecular Properties

Compound NameVimseltinib
PubChem CID86267612
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name3-methyl-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-(propan-2-ylamino)pyrimidin-4-one
SMILESCc1nc(-c2cnc(NC(C)C)n(C)c2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C23H25N7O2/c1-14(2)27-23-25-12-18(22(31)30(23)5)19-6-7-21(15(3)28-19)32-17-8-9-24-20(10-17)16-11-26-29(4)13-16/h6-14H,1-5H3,(H,25,27)
InChIKeyTVGAHWWPABTBCX-UHFFFAOYSA-N
XLogP3.56
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

Pimicotinib
CID 139549388
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
N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide
CID 146267978
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
2-(ethylamino)-5-(6-methyl-5-((2-(4-methyl-1H-imidazol-1-yl)pyridin-4-yl)oxy)pyridin-2-yl)pyrimidin-4(3H)-one
CID 86267407
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-methyl-1H-pyrazol-4-yl)pyridin-4-yl)oxy)pyridin-2-yl)-2-(pyrrolidin-1-yl)pyrimidin-4(3H)-one
CID 86267611

Frequently Asked Questions

What is the IUPAC name of Vimseltinib?
The IUPAC name of Vimseltinib (CID 86267612) is 3-methyl-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-(propan-2-ylamino)pyrimidin-4-one.
What is the SMILES notation for Vimseltinib?
The canonical SMILES for Vimseltinib is Cc1nc(-c2cnc(NC(C)C)n(C)c2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1.
What is the InChIKey of Vimseltinib?
The InChIKey is TVGAHWWPABTBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-14(2)27-23-25-12-18(22(31)30(23)5)19-6-7-21(15(3)28-19)32-17-8-9-24-20(10-17)16-11-26-29(4)13-16/h6-14H,1-5H3,(H,25,27).
What are the key properties of Vimseltinib?
Vimseltinib has a molecular weight of 431.50 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for Vimseltinib is sourced from PubChem (CID 86267612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).