(2R)-2-methyl-7-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one

C23H23N7O2 — CID 146460914

IUPAC(2R)-2-methyl-7-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one
SMILESCc1nc(-c2cnc3n(c2=O)CC[C@@H](C)N3)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C23H23N7O2/c1-14-7-9-30-22(31)18(12-25-23(30)27-14)19-4-5-21(15(2)28-19)32-17-6-8-24-20(10-17)16-11-26-29(3)13-16/h4-6,8,10-14H,7,9H2,1-3H3,(H,25,27)/t14-/m1/s1
InChIKeyNEBDXFJNOMAOEX-CQSZACIVSA-N
MW429.48 g/mol
LogP3.41
Rot. Bonds4

About (2R)-2-methyl-7-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one

(2R)-2-methyl-7-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one (PubChem CID 146460914) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is (2R)-2-methyl-7-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name(2R)-2-methyl-7-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one
PubChem CID146460914
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name(2R)-2-methyl-7-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one
SMILESCc1nc(-c2cnc3n(c2=O)CC[C@@H](C)N3)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C23H23N7O2/c1-14-7-9-30-22(31)18(12-25-23(30)27-14)19-4-5-21(15(2)28-19)32-17-6-8-24-20(10-17)16-11-26-29(3)13-16/h4-6,8,10-14H,7,9H2,1-3H3,(H,25,27)/t14-/m1/s1
InChIKeyNEBDXFJNOMAOEX-CQSZACIVSA-N
XLogP3.41
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-7-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one?
The IUPAC name of (2R)-2-methyl-7-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one (CID 146460914) is (2R)-2-methyl-7-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one.
What is the SMILES notation for (2R)-2-methyl-7-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one?
The canonical SMILES for (2R)-2-methyl-7-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one is Cc1nc(-c2cnc3n(c2=O)CC[C@@H](C)N3)ccc1Oc1ccnc(-c2cnn(C)c2)c1.
What is the InChIKey of (2R)-2-methyl-7-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one?
The InChIKey is NEBDXFJNOMAOEX-CQSZACIVSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-14-7-9-30-22(31)18(12-25-23(30)27-14)19-4-5-21(15(2)28-19)32-17-6-8-24-20(10-17)16-11-26-29(3)13-16/h4-6,8,10-14H,7,9H2,1-3H3,(H,25,27)/t14-/m1/s1.
What are the key properties of (2R)-2-methyl-7-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one?
(2R)-2-methyl-7-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one has a molecular weight of 429.48 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-7-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1,2,3,4-tetrahydropyrimido[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 146460914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).